- 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 = 3.36, residual support = 44.6:
      O   HA    MET   11 - HN    MET   11   2.82 +/- 0.07  97.412% * 99.3074% (0.95  10.0   3.36  44.64) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.24 +/- 0.32   2.558% *  0.0762% (0.73   1.0   0.02  11.95) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.07 +/- 0.61   0.029% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.95 +/- 1.78   0.001% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  30.38 +/- 1.63   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.83 +/- 1.72   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  36.69 +/- 2.02   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  33.15 +/- 2.40   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  33.16 +/- 1.62   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  42.74 +/- 2.48   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  41.79 +/- 2.99   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  41.32 +/- 2.24   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 = 0.575, support = 2.79, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.61 +/- 0.23  45.100% * 68.6590% (0.71  10.0   2.38  12.50) =  64.514%  kept
      O   HA    MET   11 - HN    ALA   12   2.52 +/- 0.13  54.843% * 31.0568% (0.32  10.0   3.52  11.95) =  35.486%  kept
          HA    GLU-  14 - HN    ALA   12   8.07 +/- 0.43   0.057% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.42 +/- 2.12   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  27.48 +/- 1.16   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.18 +/- 1.94   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  39.55 +/- 2.44   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  34.17 +/- 1.45   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  40.44 +/- 1.87   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 = 1.72, residual support = 5.2:
      O   HA    ALA   12 - HN    SER   13   2.46 +/- 0.30  95.921% * 86.7121% (0.14  10.0   1.72   5.19) =  99.431%  kept
          HA    GLU-  14 - HN    SER   13   4.24 +/- 0.27   4.079% * 11.6599% (0.20   1.0   1.58   6.72) =   0.569%  kept
          HA    PHE   59 - HN    SER   13  24.62 +/- 1.36   0.000% *  0.3917% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.06 +/- 1.53   0.000% *  0.3917% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  37.45 +/- 1.91   0.000% *  0.7297% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  36.65 +/- 2.19   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 = 7.53:
      O   QB    SER   13 - HN    SER   13   2.98 +/- 0.17  99.980% * 99.5044% (0.87  10.0   2.06   7.53) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  14.91 +/- 1.83   0.010% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  14.85 +/- 1.80   0.010% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.64 +/- 1.64   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  34.46 +/- 1.32   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  32.26 +/- 2.59   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  99.846% * 99.5491% (0.81  10.0   5.47  50.08) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.29 +/- 0.17   0.130% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.96 +/- 0.82   0.007% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.40 +/- 1.24   0.004% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  12.01 +/- 1.17   0.008% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.54 +/- 0.87   0.003% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  17.89 +/- 1.19   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  18.26 +/- 1.17   0.001% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  21.18 +/- 1.16   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 77.4:
      O   HA    VAL   18 - HN    VAL   18   2.83 +/- 0.01  99.247% * 98.8751% (0.36  10.0   5.49  77.43) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.47 +/- 0.11   0.703% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  10.68 +/- 0.87   0.040% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  15.60 +/- 0.87   0.004% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  18.30 +/- 1.33   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.34 +/- 0.94   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.05 +/- 0.63   0.002% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  22.85 +/- 1.43   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.12, residual support = 6.72:
      O   HA    SER   13 - HN    GLU-  14   2.49 +/- 0.21  99.075% * 99.4257% (0.67  10.0   2.12   6.72) =  99.999%  kept
          HA    GLU-  15 - HN    GLU-  14   5.52 +/- 0.30   0.894% *  0.0994% (0.67   1.0   0.02   0.61) =   0.001%
          HA    GLN   17 - HN    GLU-  14  10.53 +/- 0.56   0.020% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  13.62 +/- 2.01   0.009% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.84 +/- 1.24   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  22.58 +/- 1.53   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.81 +/- 1.04   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.57 +/- 1.69   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.15 +/- 2.16   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  26.45 +/- 1.46   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   2.39 +/- 0.11  99.913% * 86.2172% (0.13   3.44  16.52) =  99.999%  kept
          HN    THR   39 - HN    GLY   16  11.60 +/- 2.42   0.082% *  0.5716% (0.15   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    GLY   16  13.31 +/- 1.18   0.004% *  3.6717% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.65 +/- 0.82   0.001% *  2.5447% (0.67   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  26.07 +/- 0.80   0.000% *  3.5751% (0.94   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  29.62 +/- 1.65   0.000% *  3.4197% (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   2.39 +/- 0.11 100.000% * 99.8536% (1.00 10.00   3.44  16.52) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.86 +/- 1.06   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  25.10 +/- 1.38   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.478, support = 2.08, residual support = 6.12:
      O   HA    GLU-  15 - HN    GLY   16   2.61 +/- 0.13  97.605% * 76.7002% (0.47  10.0   2.07   6.05) =  99.310%  kept
          HA    GLN   17 - HN    GLY   16   4.93 +/- 0.10   2.294% * 22.6630% (0.97   1.0   2.90  16.52) =   0.690%  kept
          HA    SER   13 - HN    GLY   16   9.02 +/- 0.43   0.064% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.46 +/- 1.91   0.009% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.87 +/- 0.92   0.008% *  0.1082% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.00 +/- 1.47   0.016% *  0.0486% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.96 +/- 1.31   0.002% *  0.0706% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.04 +/- 1.03   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  22.88 +/- 1.32   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.776, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.60 +/- 0.21  57.392% * 12.6997% (0.90   0.02   0.02) =  73.192%  kept
          HA    VAL   70 - HN    GLY   16   7.09 +/- 1.09  41.583% *  6.1679% (0.44   0.02   0.02) =  25.756%  kept
          HA    LYS+  33 - HN    GLY   16  14.74 +/- 1.73   0.541% * 10.5138% (0.75   0.02   0.02) =   0.571%  kept
          HA    GLU-  29 - HN    GLY   16  18.09 +/- 1.50   0.144% * 12.3380% (0.87   0.02   0.02) =   0.179%
          HA    GLN   32 - HN    GLY   16  17.72 +/- 1.93   0.183% *  9.4500% (0.67   0.02   0.02) =   0.174%
          HA    GLN  116 - HN    GLY   16  19.83 +/- 1.33   0.086% *  6.1679% (0.44   0.02   0.02) =   0.053%
          HA    SER   48 - HN    GLY   16  23.73 +/- 1.76   0.030% * 12.6997% (0.90   0.02   0.02) =   0.038%
          HB2   SER   82 - HN    GLY   16  27.26 +/- 1.91   0.012% * 13.2768% (0.94   0.02   0.02) =   0.016%
          HD2   PRO   52 - HN    GLY   16  25.14 +/- 1.82   0.022% *  6.6964% (0.47   0.02   0.02) =   0.015%
          HA    ALA   88 - HN    GLY   16  30.27 +/- 0.52   0.006% *  9.9899% (0.71   0.02   0.02) =   0.006%
    Distance limit 3.47 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.979, support = 5.09, residual support = 82.5:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.01  62.649% * 95.5836% (0.99  10.0   5.17  84.56) =  97.555%  kept
          HA    GLU-  15 - HN    GLN   17   3.16 +/- 0.11  37.276% *  4.0266% (0.49   1.0   1.72   0.02) =   2.445%  kept
          HA    SER   13 - HN    GLN   17   9.85 +/- 0.60   0.043% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.68 +/- 0.81   0.010% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  14.87 +/- 1.66   0.005% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  12.95 +/- 1.24   0.010% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  14.82 +/- 1.19   0.004% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.32 +/- 1.08   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.61 +/- 1.22   0.000% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.6:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.56) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.63 +/- 2.66   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.38 +/- 1.38   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  24.20 +/- 1.63   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.11 +/- 3.49   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.80 +/- 1.28   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.46 +/- 3.46   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.30 +/- 2.54   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.6:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.56) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  18.77 +/- 1.34   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  23.41 +/- 2.76   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.63 +/- 2.66   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  30.46 +/- 1.96   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 3.29, residual support = 18.0:
      O   HA1   GLY   16 - HN    GLN   17   3.17 +/- 0.07  92.243% * 63.1568% (0.22  10.0   3.26  16.52) =  95.720%  kept
          HA    VAL   18 - HN    GLN   17   4.85 +/- 0.13   7.341% * 35.4723% (0.65   1.0   3.87  50.08) =   4.278%  kept
          HA    VAL   70 - HN    GLN   17   8.36 +/- 1.00   0.374% *  0.2830% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    GLN   17  12.69 +/- 1.22   0.027% *  0.1492% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.35 +/- 1.40   0.009% *  0.2369% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.76 +/- 1.15   0.003% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.70 +/- 1.29   0.002% *  0.2830% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.69 +/- 1.88   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.68 +/- 1.69   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   2.99 +/- 0.52 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 22.6:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.03  99.933% * 99.2246% (0.65  10.0   4.86  22.63) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.32 +/- 0.63   0.021% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.35 +/- 0.42   0.038% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.52 +/- 0.78   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  12.80 +/- 0.65   0.003% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.64 +/- 0.61   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  19.41 +/- 1.15   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  20.14 +/- 1.87   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.66 +/- 1.70   0.000% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.65, residual support = 172.0:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.03  99.964% * 99.7071% (0.87  10.0   6.65 172.03) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.64 +/- 0.42   0.025% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.50 +/- 0.32   0.007% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.75 +/- 1.52   0.003% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.26 +/- 1.10   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  21.67 +/- 1.47   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 = 25.6:
      O   HA    ILE   19 - HN    ALA   20   2.19 +/- 0.01  99.987% * 99.7374% (0.97  10.0   5.05  25.57) = 100.000%  kept
          HA    THR   26 - HN    ALA   20  10.08 +/- 0.23   0.011% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.47 +/- 0.16   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  18.37 +/- 1.66   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  20.45 +/- 1.39   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.79 +/- 1.09   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 = 3.15, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.87 +/- 0.03  99.902% * 99.9455% (0.97  10.0   3.15  15.24) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.35 +/- 0.86   0.098% *  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 = 3.88, residual support = 9.35:
        T HN    LYS+  74 - HN    CYS   21   2.89 +/- 0.39  99.836% * 99.2410% (0.76 10.00   3.88   9.35) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   9.98 +/- 0.85   0.085% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.54 +/- 0.88   0.002% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.21 +/- 0.28   0.064% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.34 +/- 1.77   0.005% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.32 +/- 1.19   0.003% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.60 +/- 0.77   0.003% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  23.74 +/- 2.31   0.000% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  24.15 +/- 1.11   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  34.07 +/- 1.25   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 15.2:
      O   HA    ALA   20 - HN    CYS   21   2.23 +/- 0.01  99.987% * 99.8901% (0.95  10.0   2.95  15.17) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.20 +/- 0.61   0.012% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.79 +/- 1.10   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.49 +/- 1.50   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  21.10 +/- 1.04   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  17.92 +/- 1.28   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.79 +/- 0.03  99.992% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.75 +/- 0.98   0.008% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  21.33 +/- 0.82   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.87 +/- 1.03   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 = 6.58:
          HA    PHE   59 - HN    ASP-  62   3.50 +/- 0.29  98.514% * 92.4913% (0.52   1.50   6.58) =  99.980%  kept
          HA    ILE   56 - HN    ASP-  62   7.33 +/- 0.23   1.396% *  1.2332% (0.52   0.02   0.02) =   0.019%
          HA    ASP- 113 - HN    ASP-  62  14.21 +/- 1.47   0.028% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  12.58 +/- 0.97   0.054% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.43 +/- 1.29   0.005% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.50 +/- 1.14   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  25.67 +/- 0.96   0.001% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 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   3.67 +/- 0.12  99.164% * 97.3578% (0.69   3.44  21.17) =  99.993%  kept
          HE3   TRP   27 - HN    HIS   22   8.31 +/- 0.32   0.753% *  0.8224% (1.00   0.02   0.02) =   0.006%
          QE    PHE   95 - HN    HIS   22  15.98 +/- 0.81   0.015% *  0.5985% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  13.70 +/- 2.49   0.061% *  0.1444% (0.18   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.53 +/- 0.85   0.005% *  0.2544% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  23.60 +/- 0.96   0.001% *  0.8224% (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 = 4.91:
          HA    ALA   20 - HN    HIS   22   4.99 +/- 0.14  99.679% * 62.6587% (0.95   0.02   4.91) =  99.923%  kept
          HA    LEU   71 - HN    HIS   22  13.22 +/- 0.91   0.307% * 14.7469% (0.22   0.02   0.02) =   0.072%
          HA    LYS+ 102 - HN    HIS   22  22.29 +/- 1.46   0.014% * 22.5944% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.86 A violated in 19 structures by 1.12 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.44, residual support = 12.8:
        T HN    THR   26 - HN    THR   23   4.53 +/- 0.08  94.641% * 99.8319% (0.69 10.00   3.44  12.83) =  99.997%  kept
          HN    LEU   80 - HN    THR   23   8.16 +/- 1.79   5.234% *  0.0496% (0.34  1.00   0.02   1.27) =   0.003%
          HN    ALA   34 - HN    THR   23  14.20 +/- 0.61   0.104% *  0.0362% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.72 +/- 1.24   0.021% *  0.0823% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.19 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.44, residual support = 21.2:
        T HN    HIS   22 - HN    THR   23   3.67 +/- 0.12  85.095% * 99.9047% (0.99 10.00   3.44  21.17) =  99.983%  kept
          HN    ASP-  76 - HN    THR   23   5.23 +/- 0.74  14.905% *  0.0953% (0.95  1.00   0.02   0.02) =   0.017%
    Distance limit 3.48 A violated in 0 structures by 0.20 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.07, residual support = 33.5:
        T HN    GLU-  25 - HN    VAL   24   2.69 +/- 0.07  98.674% * 99.8571% (0.98 10.00   8.07  33.47) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.58 +/- 0.21   1.272% *  0.0419% (0.41  1.00   0.02  13.57) =   0.001%
          HN    ASP-  44 - HN    VAL   24  10.00 +/- 1.24   0.054% *  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 = 8.07, residual support = 33.5:
        T HN    VAL   24 - HN    GLU-  25   2.69 +/- 0.07 100.000% *100.0000% (1.00 10.00   8.07  33.47) = 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 = 29.3:
        T HN    THR   26 - HN    GLU-  25   2.93 +/- 0.04  99.998% * 99.9840% (0.97 10.00   5.31  29.28) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.55 +/- 0.67   0.002% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 5.29, residual support = 29.1:
        T HN    GLU-  25 - HN    THR   26   2.93 +/- 0.04  89.033% * 94.1186% (0.98 10.00   5.31  29.28) =  99.250%  kept
          HN    ASN   28 - HN    THR   26   4.18 +/- 0.15  10.944% *  5.7863% (0.41  1.00   2.93   0.02) =   0.750%  kept
          HN    ASP-  44 - HN    THR   26  11.91 +/- 0.89   0.022% *  0.0952% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.48, residual support = 22.6:
          HN    TRP   27 - HN    THR   26   2.47 +/- 0.09  99.990% * 98.4645% (0.99   4.48  22.62) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  15.00 +/- 2.45   0.004% *  0.2688% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  18.23 +/- 3.43   0.002% *  0.1663% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.52 +/- 0.90   0.001% *  0.2867% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.56 +/- 0.45   0.002% *  0.1105% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.35 +/- 1.71   0.000% *  0.3387% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.79 +/- 0.93   0.000% *  0.3044% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  19.36 +/- 1.52   0.000% *  0.0600% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.921, support = 3.36, residual support = 13.1:
          HN    THR   23 - HN    THR   26   4.53 +/- 0.08  72.631% * 61.1694% (0.97   3.44  12.83) =  91.002%  kept
          HE3   TRP   27 - HN    THR   26   6.33 +/- 0.38  10.123% * 29.3974% (0.49   3.27  22.62) =   6.096%  kept
          HD2   HIS   22 - HN    THR   26   6.11 +/- 1.20  17.150% *  8.2611% (0.45   1.00   0.02) =   2.902%  kept
          QE    PHE   95 - HN    THR   26  17.00 +/- 0.76   0.027% *  0.3490% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.30 +/- 0.96   0.053% *  0.0499% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.95 +/- 0.76   0.006% *  0.3405% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.93 +/- 1.67   0.006% *  0.2238% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.06 +/- 0.70   0.003% *  0.2089% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.917, support = 4.77, residual support = 80.3:
          HE3   TRP   27 - HN    TRP   27   4.55 +/- 0.21  52.861% * 70.5255% (1.00   5.34 108.46) =  73.860%  kept
          HN    THR   23 - HN    TRP   27   4.66 +/- 0.21  45.871% * 28.7621% (0.69   3.16   0.82) =  26.139%  kept
          QD    PHE   55 - HN    ALA   91  13.07 +/- 2.27   0.703% *  0.0327% (0.12   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.18 +/- 0.71   0.039% *  0.1924% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    TRP   27  13.81 +/- 3.36   0.135% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  12.57 +/- 1.88   0.168% *  0.0238% (0.09   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  14.80 +/- 1.56   0.055% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.69 +/- 0.94   0.125% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.68 +/- 0.67   0.003% *  0.2644% (1.00   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  16.27 +/- 1.67   0.029% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.91 +/- 0.71   0.008% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  24.36 +/- 1.39   0.002% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.06 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.48, residual support = 22.6:
        T HN    THR   26 - HN    TRP   27   2.47 +/- 0.09  99.996% * 99.8587% (0.97 10.00   4.48  22.62) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  19.35 +/- 1.71   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  13.85 +/- 0.65   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.67 +/- 1.03   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 = 32.6:
        T HN    GLN   90 - HN    ALA   91   2.27 +/- 0.35  99.966% * 91.0962% (0.12 10.00   6.75  32.55) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  18.36 +/- 1.52   0.000% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  13.31 +/- 3.08   0.008% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  10.55 +/- 1.95   0.020% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  17.95 +/- 1.58   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.88 +/- 1.46   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.98 +/- 0.69   0.005% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  22.92 +/- 1.62   0.000% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.29, residual support = 52.9:
        T HN    ASN   28 - HN    TRP   27   2.67 +/- 0.12  91.283% * 99.7328% (0.99 10.00   5.29  52.86) =  99.996%  kept
          HN    GLU-  25 - HN    TRP   27   3.96 +/- 0.14   8.665% *  0.0378% (0.38  1.00   0.02   0.02) =   0.004%
          HN    ASP-  44 - HN    TRP   27   9.91 +/- 0.78   0.043% *  0.0414% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.37 +/- 1.69   0.001% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.28 +/- 0.95   0.007% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  19.74 +/- 0.50   0.001% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  17.73 +/- 1.86   0.001% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  27.48 +/- 1.36   0.000% *  0.0061% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.38, residual support = 108.5:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.553% * 99.6433% (0.76  10.0   2.38 108.46) =  99.999%  kept
          HE21  GLN   30 - HE1   TRP   27   7.13 +/- 1.13   0.444% *  0.1292% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE1   TRP   27  15.88 +/- 1.79   0.003% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  22.77 +/- 1.91   0.000% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.84, residual support = 108.5:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.991% * 99.8819% (0.45  10.0   1.84 108.46) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  13.69 +/- 1.03   0.009% *  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 = 5.16, residual support = 32.3:
          HN    GLU-  29 - HN    ASN   28   2.91 +/- 0.07  84.421% * 66.9936% (0.98   5.34  34.33) =  91.751%  kept
          HN    GLN   30 - HN    ASN   28   3.87 +/- 0.07  15.569% * 32.6578% (0.80   3.18   9.20) =   8.249%  kept
          HN    ASP-  86 - HN    ASN   28  15.63 +/- 2.68   0.005% *  0.2222% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  15.91 +/- 0.35   0.003% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.73 +/- 1.56   0.001% *  0.0570% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.58 +/- 2.76   0.001% *  0.0347% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.29, residual support = 52.9:
          HN    TRP   27 - HN    ASN   28   2.67 +/- 0.12  99.972% * 98.6964% (0.99   5.29  52.86) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  14.48 +/- 2.27   0.006% *  0.2282% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.74 +/- 0.74   0.004% *  0.2434% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.72 +/- 0.26   0.009% *  0.0938% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  17.15 +/- 3.25   0.004% *  0.1412% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.37 +/- 1.69   0.001% *  0.2876% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  15.44 +/- 1.52   0.003% *  0.0509% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.40 +/- 0.79   0.001% *  0.2585% (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 = 0.411, support = 5.36, residual support = 52.8:
          HD1   TRP   27 - HN    ASN   28   3.77 +/- 0.49  97.665% * 98.1329% (0.41   5.37  52.86) =  99.983%  kept
          HE21  GLN   30 - HN    ASN   28   7.94 +/- 1.07   2.325% *  0.6800% (0.76   0.02   9.20) =   0.016%
          QD    PHE   59 - HN    ASN   28  19.25 +/- 1.65   0.007% *  0.3658% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  23.79 +/- 1.92   0.002% *  0.8213% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 105.4:
          HD22  ASN   28 - HN    ASN   28   3.16 +/- 0.25  99.989% * 99.9340% (0.92   5.74 105.38) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  14.67 +/- 0.41   0.011% *  0.0660% (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 = 105.4:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.94 105.38) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  14.61 +/- 0.63   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 = 2.68:
          HA    GLU-  25 - HD21  ASN   28   4.74 +/- 0.12  99.534% * 96.5836% (1.00   1.27   2.68) =  99.994%  kept
          HA    ILE   19 - HD21  ASN   28  13.03 +/- 0.65   0.244% *  1.4439% (0.95   0.02   0.02) =   0.004%
          HA    SER   82 - HD21  ASN   28  15.07 +/- 3.80   0.208% *  0.8642% (0.57   0.02   0.02) =   0.002%
          HA    CYS   53 - HD21  ASN   28  21.01 +/- 0.95   0.014% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.42 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.834, support = 5.98, residual support = 104.6:
      O   HA    ASN   28 - HN    ASN   28   2.69 +/- 0.02  95.217% * 85.9513% (0.84  10.0   6.00 105.38) =  99.215%  kept
          HA    THR   26 - HN    ASN   28   4.46 +/- 0.20   4.757% * 13.6054% (0.65   1.0   4.09   0.02) =   0.785%  kept
          HA    ALA   34 - HN    ASN   28  11.71 +/- 0.46   0.015% *  0.0993% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  13.47 +/- 2.37   0.011% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  22.66 +/- 1.07   0.000% *  0.0893% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.08 +/- 1.69   0.000% *  0.0973% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.05 +/- 0.83   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.91 +/- 1.85   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 = 0.897, support = 5.19, residual support = 101.1:
      O   HA    TRP   27 - HN    TRP   27   2.80 +/- 0.04  54.565% * 90.4766% (0.97  10.0   5.37 108.46) =  92.147%  kept
      O   HA    ALA   91 - HN    ALA   91   2.89 +/- 0.02  45.361% *  9.2758% (0.10  10.0   3.12  14.57) =   7.853%  kept
          HA    PRO   52 - HN    ALA   91  10.61 +/- 2.05   0.055% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.25 +/- 1.70   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  14.56 +/- 2.31   0.015% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  20.68 +/- 1.16   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  14.96 +/- 0.75   0.002% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.50 +/- 1.22   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.41 +/- 1.44   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.80 +/- 0.86   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 = 4.48, residual support = 22.6:
          HB    THR   26 - HN    TRP   27   3.04 +/- 0.12  99.969% * 99.0109% (0.99   4.48  22.62) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  14.91 +/- 2.75   0.012% *  0.0780% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.91 +/- 0.83   0.001% *  0.4301% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  13.29 +/- 0.57   0.015% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.70 +/- 1.57   0.002% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.05 +/- 1.11   0.000% *  0.3236% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  21.50 +/- 1.46   0.001% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.68 +/- 1.64   0.001% *  0.0400% (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  22.87 +/- 1.28 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.34 A violated in 20 structures by 18.52 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.206, support = 4.3, residual support = 35.0:
      O   HB    THR   26 - HN    THR   26   2.11 +/- 0.06  96.198% * 21.3631% (0.15  10.0   4.16  35.81) =  87.352%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   3.796% * 78.3875% (0.57  10.0   5.27  29.28) =  12.648%  kept
          HA    SER   82 - HN    THR   26  14.22 +/- 2.55   0.002% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.20 +/- 0.24   0.004% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  23.80 +/- 0.91   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  21.74 +/- 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 = 0.782, support = 3.11, residual support = 6.26:
          HA    THR   23 - HN    GLU-  25   4.30 +/- 0.14  35.328% * 69.0230% (0.98   3.39   6.26) =  56.303%  kept
          HB    THR   23 - HN    GLU-  25   3.88 +/- 0.51  62.683% * 30.1825% (0.53   2.76   6.26) =  43.684%  kept
          HA    LEU   80 - HN    GLU-  25   9.44 +/- 3.98   1.937% *  0.2856% (0.69   0.02   0.02) =   0.013%
          HA    ASP-  78 - HN    GLU-  25  13.36 +/- 1.42   0.049% *  0.3933% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  22.36 +/- 1.43   0.002% *  0.1156% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.15 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 127.5:
      O   HA    GLU-  25 - HN    GLU-  25   2.70 +/- 0.02  99.962% * 99.7793% (0.87  10.0   5.82 127.47) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  11.80 +/- 2.99   0.031% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.39 +/- 0.24   0.007% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  21.21 +/- 0.93   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.712, support = 5.31, residual support = 24.8:
      O   HA    THR   23 - HN    VAL   24   2.55 +/- 0.14  73.541% * 92.2399% (0.73  10.0   5.31  24.81) =  97.260%  kept
          HB    THR   23 - HN    VAL   24   3.33 +/- 0.65  25.230% *  7.5719% (0.22   1.0   5.35  24.81) =   2.739%  kept
          HA    LEU   80 - HN    VAL   24   7.84 +/- 4.13   1.183% *  0.0433% (0.34   1.0   0.02   6.38) =   0.001%
          HA    ASP-  78 - HN    VAL   24  11.21 +/- 1.44   0.014% *  0.1226% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24   9.67 +/- 1.08   0.032% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.655, support = 3.13, residual support = 18.7:
      O   HA    THR   23 - HN    THR   23   2.33 +/- 0.18  91.964% * 37.7551% (0.61  10.0   3.04  18.75) =  87.698%  kept
      O   HB    THR   23 - HN    THR   23   3.61 +/- 0.35   7.842% * 62.1094% (1.00  10.0   3.80  18.75) =  12.301%  kept
          HA    LEU   80 - HN    THR   23   8.95 +/- 2.70   0.186% *  0.0589% (0.95   1.0   0.02   1.27) =   0.000%
          HA    ASP-  78 - HN    THR   23  11.47 +/- 0.82   0.008% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.17 +/- 1.18   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.723, support = 0.0199, residual support = 0.264:
          HA    ALA   20 - HN    THR   23   5.54 +/- 0.26  99.611% * 46.5057% (0.73   0.02   0.27) =  99.553%  kept
          HA    LEU   71 - HN    THR   23  14.04 +/- 0.56   0.389% * 53.4943% (0.84   0.02   0.02) =   0.447%
    Distance limit 3.90 A violated in 20 structures by 1.64 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 = 12.8:
          HB    THR   26 - HN    THR   23   3.83 +/- 0.10  99.914% * 98.4781% (0.99   2.44  12.83) = 100.000%  kept
          HA    SER   82 - HN    THR   23  13.34 +/- 1.86   0.081% *  0.1428% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  20.78 +/- 0.99   0.004% *  0.7870% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  27.33 +/- 1.09   0.001% *  0.5921% (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 = 105.4:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.989% * 99.7763% (0.98  10.0   2.94 105.38) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28  10.85 +/- 3.31   0.011% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.65 +/- 1.14   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.80 +/- 0.90   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  22.92 +/- 0.88   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 = 5.34, residual support = 34.3:
        T HN    ASN   28 - HN    GLU-  29   2.91 +/- 0.07  98.912% * 99.7796% (0.76 10.00   5.34  34.33) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.23 +/- 0.33   1.073% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  12.96 +/- 0.65   0.013% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.34 +/- 0.63   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.09, residual support = 50.0:
        T HN    LEU   31 - HN    GLN   30   2.45 +/- 0.07  99.989% * 98.4622% (0.73 10.00   7.09  50.05) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  26.40 +/- 0.83   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  11.88 +/- 1.31   0.010% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.43 +/- 0.80   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  22.16 +/- 2.22   0.000% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.51 +/- 0.87   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.10 +/- 1.05   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.93 +/- 1.01   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  25.37 +/- 2.35   0.000% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.41 +/- 0.96   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 = 5.83, residual support = 45.9:
        T HN    LEU   31 - HN    GLN   32   2.71 +/- 0.13  99.911% * 99.0995% (0.98 10.00   5.83  45.94) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.87 +/- 0.30   0.089% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  29.06 +/- 0.95   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.53 +/- 0.84   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  28.43 +/- 1.02   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  24.49 +/- 2.59   0.000% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.6:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.60) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.35 +/- 2.44   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.20 +/- 2.91   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  33.74 +/- 2.77   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.73 +/- 2.69   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.6:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.994% * 98.9152% (0.83  10.0 10.00   1.00  44.60) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90  10.05 +/- 1.75   0.005% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  19.38 +/- 2.27   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  18.34 +/- 2.03   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.35 +/- 2.44   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  14.95 +/- 1.54   0.000% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  25.06 +/- 3.58   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  33.74 +/- 2.77   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.51 +/- 1.18   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.75 +/- 2.05   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  25.53 +/- 1.66   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.88 +/- 2.07   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  33.07 +/- 1.53   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.43 +/- 2.06   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.86 +/- 2.31   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 52.0:
          HN    GLU-  36 - HN    ASN   35   2.37 +/- 0.08  99.468% * 98.7867% (0.90   5.88  52.00) =  99.998%  kept
          HN    THR   39 - HN    ASN   35   5.84 +/- 0.28   0.502% *  0.3617% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    ASN   35   9.96 +/- 1.21   0.025% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.36 +/- 0.52   0.006% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  23.04 +/- 1.98   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  27.24 +/- 1.26   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 55.5:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.51) = 100.000%  kept
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.5:
      O   HA    ASN   35 - HN    ASN   35   2.83 +/- 0.02  99.621% * 99.5029% (0.98  10.0   4.55  55.51) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   8.57 +/- 1.20   0.189% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.37 +/- 0.72   0.179% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.92 +/- 1.84   0.007% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.41 +/- 2.04   0.002% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  21.76 +/- 3.54   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.69 +/- 1.13   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  26.14 +/- 0.99   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.78 +/- 1.18   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.42, residual support = 155.0:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  95.721% * 99.6989% (0.90  10.0   2.42 155.00) =  99.995%  kept
          HD1   TRP   27 - HE22  GLN   30   4.12 +/- 1.14   4.279% *  0.1102% (0.99   1.0   0.02   0.02) =   0.005%
          QD    PHE   59 - HE22  GLN   30  16.17 +/- 1.65   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.88 +/- 1.70   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 = 155.0:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.8775% (0.92  10.0 10.00   2.42 155.00) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.35 +/- 1.46   0.000% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.21 +/- 1.58   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 = 0.217, support = 0.0199, residual support = 0.0199:
          HA    VAL   42 - HN    GLN   30  11.77 +/- 0.49   7.854% *  6.4793% (0.25   0.02   0.02) =  49.800%  kept
          HA    VAL   42 - HN    LYS+  99   7.74 +/- 0.80  88.316% *  0.4257% (0.02   0.02   0.02) =  36.789%  kept
          HA    GLN   90 - HN    GLN   30  21.94 +/- 1.64   0.185% * 25.0767% (0.97   0.02   0.02) =   4.545%  kept
          HA    ALA  110 - HN    GLN   30  24.85 +/- 1.84   0.097% * 25.9267% (1.00   0.02   0.02) =   2.466%  kept
          HA    VAL  107 - HN    GLN   30  21.51 +/- 1.00   0.232% *  8.8635% (0.34   0.02   0.02) =   2.015%  kept
          HA    VAL  107 - HN    LYS+  99  14.25 +/- 0.47   2.468% *  0.5823% (0.02   0.02   0.02) =   1.407%  kept
          HA    ALA   91 - HN    GLN   30  21.76 +/- 1.63   0.213% *  5.7850% (0.22   0.02   0.02) =   1.204%  kept
          HA    PHE   55 - HN    GLN   30  27.82 +/- 0.82   0.047% * 21.7040% (0.84   0.02   0.02) =   0.990%  kept
          HA    ALA  110 - HN    LYS+  99  20.38 +/- 1.28   0.302% *  1.7034% (0.07   0.02   0.02) =   0.503%  kept
          HA    GLN   90 - HN    LYS+  99  25.21 +/- 1.40   0.077% *  1.6475% (0.06   0.02   0.02) =   0.124%
          HA    PHE   55 - HN    LYS+  99  25.52 +/- 1.19   0.078% *  1.4259% (0.05   0.02   0.02) =   0.108%
          HA    ALA   91 - HN    LYS+  99  23.21 +/- 0.77   0.132% *  0.3801% (0.01   0.02   0.02) =   0.049%
    Distance limit 4.23 A violated in 20 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.804, support = 4.69, residual support = 39.6:
          HN    ALA   34 - HN    LYS+  33   2.48 +/- 0.08  62.400% * 79.1133% (0.90   4.60  43.87) =  86.703%  kept
          HN    GLN   32 - HN    LYS+  33   2.70 +/- 0.11  37.600% * 20.1362% (0.20   5.30  11.70) =  13.297%  kept
          HN    LEU   80 - HN    LYS+  33  20.76 +/- 2.50   0.000% *  0.3702% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.85 +/- 1.16   0.000% *  0.3802% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 55.5:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.51) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  19.71 +/- 1.78   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  19.36 +/- 2.46   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.75 +/- 1.75   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.20 +/- 1.31   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  32.36 +/- 2.64   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.88, residual support = 52.0:
        T HN    ASN   35 - HN    GLU-  36   2.37 +/- 0.08  99.991% * 99.7986% (0.99 10.00   5.88  52.00) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  11.71 +/- 1.02   0.008% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  19.27 +/- 2.71   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.283, support = 3.83, residual support = 18.0:
          HN    GLU-  36 - HN    SER   37   2.29 +/- 0.06  94.265% * 38.4113% (0.25   3.97  19.44) =  91.491%  kept
          HN    THR   39 - HN    SER   37   3.81 +/- 0.54   5.725% * 58.8284% (0.65   2.35   2.12) =   8.509%  kept
          HN    TRP   27 - HN    SER   37  14.84 +/- 0.62   0.001% *  0.7686% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  11.29 +/- 1.22   0.009% *  0.1049% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.17 +/- 0.78   0.000% *  0.5327% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  25.92 +/- 1.83   0.000% *  0.4703% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  29.56 +/- 1.15   0.000% *  0.5926% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  28.00 +/- 2.84   0.000% *  0.2910% (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 = 0.929, support = 5.14, residual support = 27.6:
          HN    THR   39 - HN    LYS+  38   2.82 +/- 0.28  80.656% * 83.1127% (0.95   5.30  28.84) =  95.625%  kept
          HN    GLU-  36 - HN    LYS+  38   3.63 +/- 0.09  19.278% * 15.9094% (0.57   1.70   0.63) =   4.375%  kept
          HN    LYS+ 102 - HN    LYS+  38   9.92 +/- 1.41   0.062% *  0.1244% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  15.60 +/- 0.79   0.004% *  0.2533% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  25.86 +/- 1.78   0.000% *  0.3060% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.74 +/- 0.93   0.000% *  0.1131% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.33 +/- 1.19   0.000% *  0.1363% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  27.82 +/- 2.77   0.000% *  0.0449% (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 = 51.1:
      O   HA    ASN   35 - HN    GLU-  36   3.57 +/- 0.03  85.997% * 83.8396% (0.38  10.0   4.70  52.00) =  97.304%  kept
          HA    SER   37 - HN    GLU-  36   4.86 +/- 0.05  13.449% * 14.8497% (0.38   1.0   3.54  19.44) =   2.695%  kept
          HA    LEU   40 - HN    GLU-  36   9.59 +/- 0.58   0.251% *  0.2234% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36   9.86 +/- 1.18   0.258% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.93 +/- 1.78   0.023% *  0.2113% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.52 +/- 2.13   0.012% *  0.2113% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.59 +/- 1.44   0.005% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  22.54 +/- 3.57   0.002% *  0.1175% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.49 +/- 0.89   0.000% *  0.2156% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.20 +/- 0.68   0.001% *  0.1002% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.38 +/- 1.07   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.8:
      O   HA    GLU-  36 - HN    GLU-  36   2.88 +/- 0.01  99.999% * 99.7892% (0.69  10.0   6.06  86.76) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.88 +/- 0.85   0.001% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  28.41 +/- 2.57   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  24.97 +/- 3.19   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 26.6:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.00  99.787% * 99.4774% (0.97  10.0   4.09  26.57) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.42 +/- 0.28   0.175% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.55 +/- 1.85   0.017% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.21 +/- 2.11   0.008% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.43 +/- 0.34   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.37 +/- 1.52   0.003% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.96 +/- 0.59   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.37 +/- 0.89   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.4:
      O   HA    GLU-  36 - HN    SER   37   3.43 +/- 0.04  99.997% * 99.6452% (0.34  10.0   4.29  19.44) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.17 +/- 0.95   0.002% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  29.09 +/- 2.36   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 = 13.5:
      O   HA    SER   37 - HN    LYS+  38   3.48 +/- 0.02  98.566% * 99.2058% (0.73  10.0   4.80  13.54) =  99.998%  kept
          HA    LEU   40 - HN    LYS+  38   7.21 +/- 0.27   1.286% *  0.1141% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    LYS+  38  13.92 +/- 2.30   0.069% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  15.99 +/- 2.40   0.021% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.73 +/- 0.27   0.042% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.47 +/- 2.00   0.010% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  19.63 +/- 3.69   0.005% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.80 +/- 0.68   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.88 +/- 1.02   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.82 +/- 1.16   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.23 +/- 0.09  99.980% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.50 +/- 0.82   0.011% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  21.88 +/- 3.26   0.007% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  29.45 +/- 2.31   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  29.73 +/- 1.19   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 39.7:
      O   HA    THR   39 - HN    THR   39   2.80 +/- 0.07  99.983% * 99.4345% (1.00  10.0   3.91  39.72) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.60 +/- 0.68   0.013% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.22 +/- 0.69   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.24 +/- 2.40   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.49 +/- 1.26   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  26.13 +/- 1.40   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.79 +/- 1.07   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.12 +/- 1.12   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  30.91 +/- 1.96   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 = 24.2:
      O   HA    THR   39 - HN    LEU   40   2.73 +/- 0.29  99.960% * 99.4345% (1.00  10.0   4.03  24.15) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.73 +/- 0.59   0.031% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.23 +/- 0.21   0.006% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.84 +/- 0.97   0.001% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.55 +/- 1.90   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  24.81 +/- 0.75   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  23.75 +/- 0.66   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  28.80 +/- 1.02   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  29.46 +/- 1.36   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 105.9:
      O   HA    LEU   40 - HN    LEU   40   2.90 +/- 0.03  96.308% * 99.4414% (1.00  10.0   5.30 105.90) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.36 +/- 0.62   3.102% *  0.0248% (0.25   1.0   0.02  11.53) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.47 +/- 1.04   0.300% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.40 +/- 0.63   0.182% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  10.78 +/- 1.27   0.053% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.24 +/- 3.63   0.029% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  12.67 +/- 1.20   0.017% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  15.05 +/- 1.39   0.006% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.54 +/- 0.90   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.31 +/- 0.35   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  20.66 +/- 1.17   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 = 74.8:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  99.989% * 99.4222% (0.22  10.0   4.51  74.75) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.71 +/- 0.20   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  16.27 +/- 1.13   0.004% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.35 +/- 0.75   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 20.8:
      O   HA    LEU   40 - HN    VAL   41   2.23 +/- 0.03  91.641% * 99.4414% (1.00  10.0   5.13  20.83) =  99.998%  kept
          HA    LYS+  99 - HN    VAL   41   3.61 +/- 0.71   8.275% *  0.0248% (0.25   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    VAL   41   8.05 +/- 0.92   0.070% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.81 +/- 0.41   0.007% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.44 +/- 1.15   0.002% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  14.59 +/- 3.25   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.11 +/- 1.18   0.002% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.41 +/- 1.27   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.23 +/- 0.85   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.86 +/- 0.35   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.22 +/- 1.16   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.24, residual support = 26.3:
        T HN    LEU   98 - HN    VAL   41   3.31 +/- 0.76 100.000% *100.0000% (0.97 10.00   5.24  26.28) = 100.000%  kept
    Distance limit 4.12 A violated in 1 structures by 0.11 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.66, residual support = 4.95:
          HA    PHE   72 - HN    VAL   42   2.90 +/- 0.78 100.000% *100.0000% (0.22   1.66   4.95) = 100.000%  kept
    Distance limit 4.15 A violated in 1 structures by 0.07 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.2, residual support = 24.5:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.01  99.992% * 99.4222% (0.22  10.0   5.20  24.50) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.18 +/- 0.14   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  13.38 +/- 1.11   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  19.93 +/- 0.55   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 = 88.7:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.924% * 99.6568% (0.87  10.0   5.46  88.69) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.82 +/- 1.03   0.049% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.03 +/- 0.40   0.013% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.11 +/- 0.37   0.008% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.35 +/- 2.04   0.003% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.28 +/- 1.06   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  20.32 +/- 0.78   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.05, residual support = 39.0:
      O   HA    VAL   42 - HN    VAL   43   2.23 +/- 0.05  99.989% * 99.7026% (1.00  10.0   5.05  39.00) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.50 +/- 0.26   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.49 +/- 0.74   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.02 +/- 1.72   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.84 +/- 0.33   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.13 +/- 0.99   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.93 +/- 0.64   0.001% *  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 = 2.76, residual support = 6.14:
          HA    LYS+  74 - HN    ASP-  44   3.63 +/- 0.34  99.094% * 96.0183% (0.28   2.76   6.14) =  99.993%  kept
          HA    VAL   41 - HN    ASP-  44   8.31 +/- 0.17   0.786% *  0.4951% (0.20   0.02   0.02) =   0.004%
          HA    MET   92 - HN    ASP-  44  11.92 +/- 0.65   0.098% *  2.1702% (0.87   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    ASP-  44  15.71 +/- 1.63   0.021% *  1.3163% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.11 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.7:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.03  99.980% * 99.8182% (0.87  10.0   3.71  15.67) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44  10.01 +/- 0.71   0.013% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.38 +/- 0.79   0.006% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.89 +/- 0.41   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 = 3.81, residual support = 38.7:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.935% * 98.9185% (0.49  10.0   3.81  38.66) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.08 +/- 0.62   0.036% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.46 +/- 0.79   0.018% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  15.24 +/- 0.59   0.005% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  17.39 +/- 1.19   0.002% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  18.69 +/- 0.86   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  17.82 +/- 0.82   0.002% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  24.20 +/- 1.13   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  27.30 +/- 1.27   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.87 +/- 0.40  99.952% * 99.8815% (0.84 10.00   3.30  27.19) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.91 +/- 0.65   0.048% *  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 = 5.74, residual support = 80.7:
          QD    PHE   45 - HN    PHE   45   2.40 +/- 0.52  99.990% * 98.5698% (0.53   5.74  80.71) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.20 +/- 1.31   0.007% *  0.6305% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.35 +/- 1.61   0.002% *  0.6180% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.76 +/- 1.08   0.001% *  0.1817% (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   4.53 +/- 0.79 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.54 A violated in 3 structures by 0.33 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 80.7:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.02  99.957% * 99.9134% (0.99  10.0   4.00  80.71) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.15 +/- 0.27   0.020% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.16 +/- 0.46   0.020% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  16.99 +/- 1.30   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.5:
      O   HA    ASP-  44 - HN    PHE   45   2.31 +/- 0.03  99.913% * 99.3093% (1.00  10.0   4.04  19.47) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.72 +/- 0.59   0.037% *  0.0984% (0.99   1.0   0.02   9.36) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.93 +/- 1.16   0.039% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.20 +/- 0.94   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  14.04 +/- 0.99   0.002% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.52 +/- 0.88   0.003% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  15.81 +/- 0.47   0.001% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  16.09 +/- 0.96   0.001% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.93 +/- 0.30   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.22 +/- 0.94   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  31.16 +/- 1.34   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.91 +/- 1.24   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   4.44 +/- 0.21  99.797% * 94.4273% (0.22   4.41  12.48) =  99.998%  kept
          HD2   HIS  122 - HN    THR   46  17.05 +/- 1.12   0.037% *  1.8212% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    THR   46  13.93 +/- 1.30   0.123% *  0.2971% (0.15   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  18.32 +/- 1.87   0.027% *  1.1677% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.56 +/- 1.83   0.012% *  1.8580% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  24.80 +/- 1.37   0.004% *  0.4286% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.07 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   3.35 +/- 0.81  99.995% * 98.8089% (0.53   2.74   3.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.03 +/- 1.31   0.005% *  1.1911% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 2 structures by 0.16 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   2.24 +/- 0.04  99.939% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.36 +/- 0.34   0.038% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46   9.47 +/- 1.00   0.021% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.78 +/- 0.34   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.94 +/- 0.01  99.700% * 99.4016% (0.57  10.0   3.25  34.52) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   8.72 +/- 1.22   0.244% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.27 +/- 0.17   0.019% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.76 +/- 2.37   0.023% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  14.07 +/- 0.66   0.009% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.19 +/- 1.10   0.006% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.01 +/- 0.64   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   3.45 +/- 0.38 100.000% *100.0000% (1.00   3.62  11.98) = 100.000%  kept
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.34, residual support = 10.8:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.02  63.070% * 96.8065% (0.90  10.0   2.36  10.89) =  98.270%  kept
          HA    CYS   50 - HN    ALA   47   3.38 +/- 0.80  36.562% *  2.9393% (0.73   1.0   0.75   7.19) =   1.730%  kept
          HA    TRP   49 - HN    ALA   47   7.08 +/- 0.30   0.313% *  0.0568% (0.53   1.0   0.02  14.74) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.80 +/- 2.06   0.036% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  12.97 +/- 2.34   0.017% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  16.43 +/- 1.00   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 = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.34 +/- 0.06  99.881% * 99.4016% (0.57  10.0   3.07  12.68) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.29 +/- 1.27   0.091% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.93 +/- 0.65   0.010% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.37 +/- 2.77   0.015% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.50 +/- 0.41   0.001% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.02 +/- 1.47   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.77 +/- 0.64   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 = 0.833, support = 4.37, residual support = 15.3:
        T HN    TRP   49 - HN    SER   48   2.54 +/- 0.09  88.986% * 93.5711% (0.84 10.00   4.39  15.42) =  99.168%  kept
          HN    CYS   50 - HN    SER   48   3.65 +/- 0.28  10.977% *  6.3607% (0.61  1.00   1.87   0.02) =   0.832%  kept
          HN    VAL   83 - HN    SER   48  12.09 +/- 1.73   0.036% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.44 +/- 1.30   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  98.418% * 99.6576% (0.90  10.0   2.07   6.15) =  99.999%  kept
          HA    CYS   50 - HN    SER   48   5.39 +/- 0.39   0.711% *  0.0807% (0.73   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    SER   48   5.14 +/- 0.08   0.864% *  0.0585% (0.53   1.0   0.02  15.42) =   0.001%
          HA    VAL  108 - HN    SER   48  14.38 +/- 2.35   0.003% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.02 +/- 2.68   0.003% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.85 +/- 1.57   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 = 4.97, residual support = 87.1:
          HD1   TRP   49 - HN    TRP   49   2.86 +/- 0.74  99.919% * 98.3128% (0.92   4.97  87.07) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  13.76 +/- 2.20   0.027% *  0.2772% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.18 +/- 0.65   0.040% *  0.1068% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.80 +/- 1.20   0.005% *  0.2943% (0.69   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  20.97 +/- 2.86   0.003% *  0.3431% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  17.23 +/- 0.85   0.004% *  0.0848% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  24.07 +/- 0.80   0.001% *  0.4200% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.87 +/- 1.65   0.000% *  0.1608% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.39, residual support = 15.4:
        T HN    SER   48 - HN    TRP   49   2.54 +/- 0.09 100.000% *100.0000% (0.84 10.00   4.39  15.42) = 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 = 0.967, support = 1.87, residual support = 7.09:
      O   HA    CYS   50 - HN    CYS   50   2.30 +/- 0.21  85.597% * 49.7435% (0.98  10.0   1.76   7.67) =  87.887%  kept
      O   HA    TRP   49 - HN    CYS   50   3.34 +/- 0.15  11.716% * 50.0828% (0.87  10.0   2.71   2.91) =  12.112%  kept
          HA    ALA   47 - HN    CYS   50   4.12 +/- 0.39   2.678% *  0.0327% (0.57   1.0   0.02   7.19) =   0.002%
          HA1   GLY  109 - HN    CYS   50  14.41 +/- 2.76   0.005% *  0.0557% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.27 +/- 2.21   0.004% *  0.0259% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.47 +/- 1.41   0.000% *  0.0397% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  28.13 +/- 1.53   0.000% *  0.0197% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 4.56, residual support = 84.9:
      O   HA    TRP   49 - HN    TRP   49   2.92 +/- 0.02  79.351% * 80.6454% (0.87  10.0   4.62  87.07) =  97.240%  kept
          HA    CYS   50 - HN    TRP   49   4.31 +/- 0.15   7.814% * 12.6817% (0.98   1.0   2.78   2.91) =   1.506%  kept
          HA    ALA   47 - HN    TRP   49   4.00 +/- 0.24  12.809% *  6.4459% (0.57   1.0   2.45  14.74) =   1.255%  kept
          HA1   GLY  109 - HN    TRP   49  15.05 +/- 2.99   0.016% *  0.0897% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.01 +/- 2.53   0.010% *  0.0417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  19.89 +/- 1.44   0.001% *  0.0639% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.69 +/- 2.01   0.000% *  0.0317% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.33, residual support = 87.1:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.988% * 99.6863% (0.92  10.0   2.33  87.07) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  13.89 +/- 2.34   0.010% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  22.65 +/- 3.18   0.001% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  18.10 +/- 1.81   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  25.19 +/- 2.26   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.89 +/- 2.59   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 = 0.979, support = 1.39, residual support = 1.37:
      O   HA    CYS   50 - HN    GLY   51   3.09 +/- 0.36  84.901% * 95.7294% (0.98  10.0   1.39   1.38) =  99.339%  kept
          HA    TRP   49 - HN    GLY   51   4.70 +/- 0.94  14.028% *  3.8486% (0.87   1.0   0.63   0.02) =   0.660%  kept
          HA    ALA   47 - HN    GLY   51   6.78 +/- 0.98   1.009% *  0.0794% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  13.65 +/- 2.71   0.045% *  0.1354% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.27 +/- 1.95   0.017% *  0.0629% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  22.00 +/- 1.54   0.001% *  0.0964% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  29.30 +/- 1.17   0.000% *  0.0479% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.68, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.48 +/- 0.28  99.924% * 99.5416% (0.92  10.0   2.68  10.21) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51   9.49 +/- 0.66   0.053% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.39 +/- 1.37   0.014% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.37 +/- 2.07   0.003% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.09 +/- 0.89   0.004% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.39 +/- 2.16   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.31 +/- 1.15   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.47 +/- 1.04   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.99 +/- 1.18   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  38.63 +/- 2.27   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.13, residual support = 32.1:
        T HN    ARG+  54 - HN    CYS   53   2.61 +/- 0.12  99.993% * 99.1159% (0.98 10.00   6.13  32.12) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.11 +/- 0.73   0.007% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.69 +/- 1.14   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.81 +/- 1.03   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 = 6.13, residual support = 32.1:
        T HN    CYS   53 - HN    ARG+  54   2.61 +/- 0.12  99.990% * 99.6035% (0.85 10.00   6.13  32.12) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.11 +/- 0.73   0.007% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  16.75 +/- 1.06   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.78 +/- 0.87   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.84 +/- 1.10   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.61 +/- 0.99   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  21.16 +/- 0.75   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  22.40 +/- 0.87   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.312, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  12.01 +/- 1.25  70.212% *  4.3392% (0.10   0.02   0.02) =  45.008%  kept
          HN    TRP   87 - HN    ARG+  54  18.81 +/- 1.41   5.743% * 29.7440% (0.69   0.02   0.02) =  25.235%  kept
          HD21  ASN   69 - HN    ASP-  62  15.16 +/- 1.20  19.791% *  5.8573% (0.14   0.02   0.02) =  17.125%  kept
          HN    GLN   17 - HN    ARG+  54  21.18 +/- 1.56   2.455% * 23.1904% (0.54   0.02   0.02) =   8.411%  kept
          HD21  ASN   69 - HN    ARG+  54  26.02 +/- 1.19   0.721% * 31.3037% (0.72   0.02   0.02) =   3.336%  kept
          HN    TRP   87 - HN    ASP-  62  24.39 +/- 0.94   1.078% *  5.5654% (0.13   0.02   0.02) =   0.886%  kept
    Distance limit 3.83 A violated in 20 structures by 7.41 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 18.0:
          HN    PHE   55 - HN    ILE   56   2.53 +/- 0.17  99.875% * 99.1164% (0.95   3.94  18.01) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.25 +/- 0.48   0.053% *  0.1643% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.66 +/- 0.21   0.069% *  0.0200% (0.04   0.02   5.34) =   0.000%
          HN    ALA   88 - HN    ILE   56  20.37 +/- 1.23   0.000% *  0.4618% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.58 +/- 0.97   0.000% *  0.1998% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  16.47 +/- 3.30   0.002% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  22.32 +/- 2.58   0.001% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  24.26 +/- 1.93   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.18, residual support = 33.0:
          HN    ALA   57 - HN    ILE   56   2.50 +/- 0.18  99.969% * 99.0138% (0.87   5.18  33.01) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.05 +/- 2.35   0.017% *  0.3529% (0.80   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  17.68 +/- 2.21   0.002% *  0.3952% (0.90   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.31 +/- 1.22   0.003% *  0.1812% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.28 +/- 2.10   0.009% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  22.62 +/- 2.17   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  27.09 +/- 2.97   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  26.09 +/- 3.29   0.000% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 5.04, residual support = 122.6:
      O   HA    ILE   56 - HN    ILE   56   2.93 +/- 0.01  99.340% * 95.8570% (0.15  10.0   5.04 122.60) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.32 +/- 0.13   0.410% *  0.5877% (0.95   1.0   0.02   0.02) =   0.003%
          HA    THR   46 - HN    ILE   56   8.34 +/- 0.89   0.226% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  17.36 +/- 1.38   0.003% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.02 +/- 1.04   0.004% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  21.82 +/- 1.06   0.001% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.63 +/- 1.36   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.81 +/- 1.36   0.002% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  15.54 +/- 1.51   0.006% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  29.09 +/- 1.74   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.92 +/- 1.13   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  16.45 +/- 2.64   0.005% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  21.25 +/- 2.85   0.001% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  25.07 +/- 1.96   0.000% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  24.90 +/- 1.68   0.000% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  26.74 +/- 2.20   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  26.98 +/- 3.03   0.000% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.39 +/- 2.48   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  32.09 +/- 3.14   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  29.12 +/- 3.07   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 33.0:
          HN    ILE   56 - HN    ALA   57   2.50 +/- 0.18  99.915% * 98.5684% (0.98   5.18  33.01) = 100.000%  kept
          HN    LEU   63 - HN    ALA   57   9.12 +/- 0.35   0.046% *  0.3584% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   57  10.29 +/- 1.69   0.038% *  0.3482% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   57  20.29 +/- 0.96   0.000% *  0.3482% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  22.62 +/- 2.17   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.28 +/- 0.80   0.000% *  0.1198% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  32.18 +/- 1.63   0.000% *  0.1890% (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 = 4.25, residual support = 20.4:
        T HN    PHE   60 - HN    PHE   59   2.74 +/- 0.14  99.807% * 97.7864% (0.47 10.00   4.25  20.40) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.28 +/- 0.98   0.044% *  0.6051% (0.29 10.00   0.02  10.45) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.48 +/- 0.80   0.149% *  0.0282% (0.14  1.00   0.02   0.40) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  20.10 +/- 1.13   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 = 0.273, support = 4.66, residual support = 55.3:
      O   HA    PHE   59 - HN    PHE   59   2.78 +/- 0.05  63.598% * 86.5230% (0.24  10.0   4.96  58.17) =  92.419%  kept
          HA    ILE   56 - HN    PHE   59   3.06 +/- 0.10  36.375% * 12.4090% (0.69   1.0   0.99  20.76) =   7.581%  kept
          HA    ASP- 113 - HN    PHE   59  11.11 +/- 1.30   0.021% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.25 +/- 1.16   0.004% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.17 +/- 1.39   0.000% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.73 +/- 0.99   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.71 +/- 1.42   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  99.897% * 99.2309% (0.76  10.0   4.48  24.32) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57   9.54 +/- 0.28   0.069% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  11.21 +/- 0.69   0.028% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.51 +/- 1.12   0.004% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  19.14 +/- 1.48   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  21.36 +/- 1.01   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  24.37 +/- 1.16   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.78 +/- 1.19   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  33.86 +/- 1.57   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 = 0.991, support = 4.64, residual support = 33.0:
      O   HA    ILE   56 - HN    ALA   57   3.08 +/- 0.05  95.107% * 99.5094% (0.99  10.0   4.64  33.01) =  99.998%  kept
          HA    PRO   58 - HN    ALA   57   5.08 +/- 0.17   4.862% *  0.0342% (0.34   1.0   0.02  25.09) =   0.002%
          HA    ASP- 113 - HN    ALA   57  12.64 +/- 1.23   0.025% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  18.12 +/- 1.46   0.003% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.98 +/- 1.24   0.001% *  0.0900% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.57 +/- 0.96   0.001% *  0.0489% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  21.15 +/- 1.25   0.001% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  28.12 +/- 1.34   0.000% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  27.51 +/- 1.79   0.000% *  0.0310% (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 = 5.25, residual support = 41.9:
        T HN    PHE   60 - HN    ALA   61   2.77 +/- 0.15  99.968% * 97.7864% (0.61 10.00   5.25  41.93) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.82 +/- 0.94   0.013% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  16.19 +/- 1.13   0.003% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  12.01 +/- 0.76   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 = 0.544, support = 4.5, residual support = 35.1:
          QD    PHE   60 - HN    ALA   61   3.63 +/- 0.63  70.747% * 49.1866% (0.57   4.77  41.93) =  83.559%  kept
          HN    PHE   59 - HN    ALA   61   4.38 +/- 0.22  26.743% * 24.2407% (0.41   3.24   0.50) =  15.567%  kept
          QE    PHE   59 - HN    ALA   61   7.44 +/- 0.82   1.378% * 26.1246% (0.80   1.79   0.50) =   0.864%  kept
          HN    LYS+  66 - HN    ALA   61   7.44 +/- 0.33   1.131% *  0.3572% (0.98   0.02   0.02) =   0.010%
          HN    LYS+  81 - HN    ALA   61  22.06 +/- 1.07   0.002% *  0.0909% (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 = 1.04, residual support = 1.04:
          HA    PRO   58 - HN    ALA   61   3.57 +/- 0.35  95.944% * 89.9201% (0.97   1.05   1.04) =  99.965%  kept
          HA    ILE   56 - HN    ALA   61   6.79 +/- 0.48   3.329% *  0.7331% (0.41   0.02   0.02) =   0.028%
          HA    THR   46 - HN    ALA   61   9.82 +/- 1.10   0.302% *  0.7995% (0.45   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    ALA   61   9.72 +/- 1.13   0.357% *  0.6692% (0.38   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    ALA   61  15.09 +/- 1.16   0.022% *  1.6868% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.61 +/- 0.97   0.025% *  0.9382% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.00 +/- 0.69   0.010% *  1.7832% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  21.46 +/- 1.65   0.003% *  1.6868% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.86 +/- 1.16   0.005% *  0.4446% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.55 +/- 1.28   0.001% *  0.6692% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.86 +/- 0.84   0.001% *  0.6692% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.05 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 2.0:
          HA    ALA   57 - HN    ALA   61   4.38 +/- 0.70  98.277% * 84.4518% (0.41   2.00   2.00) =  99.964%  kept
          HA    ASP-  44 - HN    ALA   61   9.45 +/- 0.83   1.495% *  1.7835% (0.87   0.02   0.02) =   0.032%
          HA1   GLY   51 - HN    ALA   61  14.83 +/- 0.86   0.075% *  1.4930% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  16.75 +/- 0.90   0.043% *  1.8980% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.82 +/- 0.86   0.022% *  2.0153% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  18.75 +/- 1.49   0.024% *  1.8439% (0.90   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  19.17 +/- 0.98   0.020% *  1.7173% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  18.24 +/- 1.25   0.028% *  0.3172% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  24.47 +/- 0.97   0.005% *  1.8980% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  27.85 +/- 1.38   0.002% *  1.7173% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  24.15 +/- 1.41   0.005% *  0.4577% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  25.34 +/- 1.01   0.004% *  0.4069% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 1 structures by 0.22 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.84, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.57 +/- 0.08  99.987% * 99.7221% (0.98 10.00   5.84  42.37) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.45 +/- 0.64   0.005% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.61 +/- 0.42   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.57 +/- 0.91   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.30 +/- 0.80   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.86, residual support = 53.6:
        T HN    ALA   64 - HN    LEU   63   2.71 +/- 0.10 100.000% *100.0000% (0.97 10.00   6.86  53.60) = 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 = 4.15, residual support = 26.6:
        T HN    LYS+  65 - HN    ALA   64   2.58 +/- 0.10 100.000% *100.0000% (0.97 10.00   4.15  26.64) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.86, residual support = 53.6:
          HN    LEU   63 - HN    ALA   64   2.71 +/- 0.10  99.981% * 99.0100% (0.99   6.86  53.60) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.11 +/- 0.76   0.014% *  0.2755% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.69 +/- 1.80   0.003% *  0.1766% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  18.73 +/- 0.75   0.001% *  0.1766% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  22.46 +/- 0.95   0.000% *  0.1766% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  23.04 +/- 1.84   0.000% *  0.1197% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.66 +/- 1.26   0.000% *  0.0648% (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 = 4.15, residual support = 26.6:
        T HN    ALA   64 - HN    LYS+  65   2.58 +/- 0.10 100.000% *100.0000% (0.67 10.00   4.15  26.64) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.14, residual support = 25.5:
          HN    LYS+  66 - HN    LYS+  65   2.59 +/- 0.16  99.387% * 99.3313% (0.68   6.14  25.52) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.64 +/- 0.94   0.486% *  0.1868% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.27 +/- 0.98   0.059% *  0.2641% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.82 +/- 0.24   0.068% *  0.1356% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  25.31 +/- 1.07   0.000% *  0.0823% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.75, residual support = 3.24:
          HA    ASP-  62 - HN    LYS+  65   3.39 +/- 0.20  99.986% * 95.0307% (0.67   0.75   3.24) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.80 +/- 1.18   0.011% *  1.9068% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  19.95 +/- 0.92   0.003% *  2.6026% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.91 +/- 0.94   0.000% *  0.4599% (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 = 6.14, residual support = 25.5:
        T HN    LYS+  65 - HN    LYS+  66   2.59 +/- 0.16 100.000% *100.0000% (0.97 10.00   6.14  25.52) = 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 = 5.03, residual support = 114.0:
      O   HA    LYS+  66 - HN    LYS+  66   2.86 +/- 0.08  99.999% * 99.9389% (0.97  10.0   5.03 113.99) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.95 +/- 0.91   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  27.30 +/- 1.09   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 = 3.01, residual support = 52.9:
          HD22  ASN   28 - HE3   TRP   27   4.50 +/- 0.28  99.992% * 94.9774% (0.08   3.01  52.86) = 100.000%  kept
          HD22  ASN   28 - HN    LEU   67  21.83 +/- 0.69   0.008% *  5.0226% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 1 structures by 0.13 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.69, residual support = 58.2:
      O   HA    LEU   67 - HN    LEU   67   2.93 +/- 0.02  99.855% * 99.9623% (1.00  10.0   5.69  58.23) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.07 +/- 1.18   0.142% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.31 +/- 0.75   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  19.06 +/- 1.10   0.001% *  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 = 4.72, residual support = 11.5:
      O   HA    LYS+  66 - HN    LEU   67   3.07 +/- 0.45  99.954% * 99.9186% (0.97  10.0   4.72  11.49) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  13.14 +/- 2.99   0.040% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.68 +/- 0.90   0.001% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  21.42 +/- 0.68   0.001% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  18.45 +/- 0.57   0.003% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  27.97 +/- 1.14   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 = 26.2:
        T HN    VAL   70 - HN    ASN   69   2.49 +/- 0.50  99.998% * 99.9644% (0.87 10.00   5.26  26.24) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.14 +/- 1.12   0.002% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.39, residual support = 59.7:
      O   HA    ASN   69 - HN    ASN   69   2.86 +/- 0.07  99.994% * 99.8231% (0.76  10.0   5.39  59.68) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.55 +/- 0.42   0.006% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.74 +/- 0.57   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 = 3.25, residual support = 59.7:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.25  59.68) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.27 +/- 1.41   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.72 +/- 0.92   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 59.7:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 99.7566% (0.52  10.0   3.25  59.68) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.48 +/- 1.11   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  31.19 +/- 1.25   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  31.14 +/- 1.96   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 = 1.85, residual support = 38.2:
          QE    PHE   72 - HN    VAL   70   4.16 +/- 0.66  99.986% * 97.6871% (0.45   1.85  38.18) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  19.20 +/- 0.54   0.014% *  2.3129% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.14 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.2:
        T HN    ASN   69 - HN    VAL   70   2.49 +/- 0.50  99.989% * 99.9392% (0.87 10.00   5.26  26.24) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  13.72 +/- 1.58   0.010% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.85 +/- 0.42   0.001% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.07, residual support = 1.07:
          HA    PRO   68 - HN    VAL   70   4.27 +/- 0.69 100.000% *100.0000% (0.99   1.07   1.07) = 100.000%  kept
    Distance limit 4.25 A violated in 2 structures by 0.29 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.6:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  99.713% * 99.2525% (0.84  10.0   3.89  81.61) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   8.70 +/- 0.87   0.175% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70   9.98 +/- 1.99   0.095% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  14.28 +/- 0.93   0.008% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.86 +/- 1.63   0.003% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.24 +/- 0.57   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.51 +/- 0.64   0.003% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  25.00 +/- 1.01   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  28.04 +/- 2.16   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  25.09 +/- 1.00   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  29.99 +/- 0.77   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 138.2:
      O   HA    LEU   71 - HN    LEU   71   2.91 +/- 0.02  99.896% * 99.9402% (1.00  10.0   6.62 138.25) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   9.46 +/- 0.24   0.086% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.34 +/- 0.48   0.018% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 32.8:
      O   HA    VAL   70 - HN    LEU   71   2.28 +/- 0.03  99.555% * 99.5202% (1.00  10.0   5.31  32.83) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.91 +/- 2.25   0.112% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   7.71 +/- 0.69   0.076% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   8.01 +/- 1.80   0.244% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  11.07 +/- 1.70   0.010% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.39 +/- 1.19   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  17.73 +/- 1.72   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  24.81 +/- 2.43   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.49 +/- 0.99   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 = 2.28, residual support = 3.03:
          HA    VAL   41 - HN    LEU   71   4.23 +/- 0.72  99.416% * 98.7833% (1.00   2.28   3.03) =  99.996%  kept
          HA    HIS  122 - HN    LEU   71  11.33 +/- 1.75   0.494% *  0.7252% (0.84   0.02   0.02) =   0.004%
          HA    PHE   45 - HN    LEU   71  15.39 +/- 0.40   0.089% *  0.4915% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 2 structures by 0.35 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 2.12:
          HN    VAL   42 - HN    LEU   71   4.92 +/- 0.27  82.748% * 66.2723% (0.61   2.32   2.25) =  94.083%  kept
          HN    LEU   73 - HN    LEU   71   7.03 +/- 0.25  10.318% * 32.8031% (0.61   1.15   0.02) =   5.807%  kept
          HN    ILE   19 - HN    LEU   71   7.71 +/- 0.60   6.934% *  0.9246% (0.98   0.02   0.02) =   0.110%
    Distance limit 4.51 A violated in 0 structures by 0.32 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.56, residual support = 90.1:
          QD    PHE   72 - HN    PHE   72   2.62 +/- 0.33  99.955% * 98.9103% (0.45   5.56  90.12) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.54 +/- 0.62   0.031% *  0.5763% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.77 +/- 0.72   0.014% *  0.5134% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.12, residual support = 90.1:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.12  90.12) = 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 = 5.37, residual support = 19.8:
      O   HA    LEU   71 - HN    PHE   72   2.21 +/- 0.05  99.907% * 99.9402% (1.00  10.0   5.37  19.81) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.70 +/- 0.38   0.062% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.60 +/- 0.53   0.031% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.558, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  13.91 +/- 0.97  29.714% * 29.8815% (0.73   0.02   0.02) =  57.880%  kept
          HA    PHE   45 - HN    PHE   72  12.64 +/- 0.42  50.503% *  7.2068% (0.18   0.02   0.02) =  23.725%  kept
          HB    THR   23 - HN    PHE   72  15.83 +/- 0.63  13.104% *  9.1616% (0.22   0.02   0.02) =   7.826%  kept
          HA    ASP-  78 - HN    PHE   72  20.63 +/- 0.29   2.663% * 39.7133% (0.97   0.02   0.02) =   6.894%  kept
          HA    LEU   80 - HN    PHE   72  19.87 +/- 1.83   4.015% * 14.0368% (0.34   0.02   0.02) =   3.674%  kept
    Distance limit 4.39 A violated in 20 structures by 6.87 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.482, support = 1.02, residual support = 1.34:
          QE    PHE   60 - HN    LEU   73   6.20 +/- 1.93  80.797% * 74.4744% (0.49   1.04   1.38) =  96.629%  kept
          HN    LEU   63 - HN    LEU   73  10.11 +/- 1.07   9.760% * 18.8358% (0.41   0.31   0.02) =   2.952%  kept
          HD21  ASN   28 - HN    LEU   73  10.45 +/- 0.71   8.254% *  2.8760% (0.98   0.02   3.14) =   0.381%
          HZ2   TRP   87 - HN    LEU   73  17.03 +/- 1.88   0.638% *  2.9082% (0.99   0.02   0.02) =   0.030%
          HN    ILE   56 - HN    LEU   73  15.52 +/- 1.07   0.552% *  0.9056% (0.31   0.02   0.02) =   0.008%
    Distance limit 4.50 A violated in 12 structures by 1.71 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.37, residual support = 170.7:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.02 100.000% *100.0000% (0.95  10.0   6.37 170.69) = 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 = 5.15, residual support = 39.3:
      O   HA    PHE   72 - HN    LEU   73   2.29 +/- 0.05 100.000% *100.0000% (0.53  10.0   5.15  39.35) = 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 = 0.535, support = 3.67, residual support = 7.81:
          HA    VAL   43 - HN    LEU   73   3.59 +/- 0.58  91.335% * 69.4110% (0.53   3.75   8.05) =  97.062%  kept
          HA    LEU   71 - HN    LEU   73   6.14 +/- 0.27   6.354% * 30.1587% (0.84   1.03   0.02) =   2.934%  kept
          HA    ALA   20 - HN    LEU   73   7.15 +/- 0.40   2.137% *  0.0953% (0.14   0.02   0.02) =   0.003%
          HA    HIS   22 - HN    LEU   73  11.50 +/- 0.39   0.104% *  0.1393% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.22 +/- 0.35   0.069% *  0.1958% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.88, residual support = 9.35:
        T HN    CYS   21 - HN    LYS+  74   2.89 +/- 0.39  99.984% * 95.8247% (0.12 10.00   3.88   9.35) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.54 +/- 0.88   0.002% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.14 +/- 0.75   0.005% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  16.81 +/- 1.05   0.004% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.45 +/- 1.01   0.005% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.565, support = 4.01, residual support = 16.4:
        T HN    ILE   19 - HN    LYS+  74   4.38 +/- 0.58  51.848% * 72.9252% (0.54 10.00   3.25   8.32) =  75.035%  kept
          HN    LEU   73 - HN    LYS+  74   4.45 +/- 0.09  46.638% * 26.9703% (0.64  1.00   6.30  40.74) =  24.962%  kept
          HN    VAL   42 - HN    LYS+  74   7.95 +/- 0.54   1.501% *  0.0856% (0.64  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HN    LYS+  74  17.40 +/- 0.87   0.013% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.62, residual support = 40.7:
      O   HA    LEU   73 - HN    LYS+  74   2.32 +/- 0.09 100.000% *100.0000% (0.68  10.0   5.62  40.74) = 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 = 6.1, residual support = 187.3:
      O   HA    LYS+  74 - HN    LYS+  74   2.94 +/- 0.00  99.870% * 99.4309% (0.20  10.0   6.10 187.29) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.13 +/- 0.67   0.123% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.51 +/- 0.87   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.48 +/- 1.15   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.73, residual support = 8.19:
          HA    ALA   20 - HN    LYS+  74   3.07 +/- 0.51  99.765% * 99.7088% (0.68   3.73   8.19) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.87 +/- 0.25   0.235% *  0.2912% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.04, residual support = 31.9:
      O   HA    LYS+  74 - HN    VAL   75   2.21 +/- 0.03  99.994% * 99.7992% (0.61  10.0   6.04  31.87) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.37 +/- 0.74   0.006% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.02 +/- 1.16   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.77, residual support = 36.4:
      O   HA    ASP-  76 - HN    ASP-  76   2.86 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.77  36.44) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.32 +/- 1.03   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.24 +/- 0.01  99.835% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.30 +/- 1.26   0.160% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.33 +/- 1.36   0.003% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  13.32 +/- 1.05   0.002% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.02 +/- 1.42   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.19, residual support = 27.7:
        T HN    ASP-  78 - HN    THR   77   2.69 +/- 0.13  99.097% * 99.9203% (0.98 10.00   5.19  27.68) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.93 +/- 0.24   0.902% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.92 +/- 1.18   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 = 5.19, residual support = 27.7:
        T HN    THR   77 - HN    ASP-  78   2.69 +/- 0.13 100.000% *100.0000% (1.00 10.00   5.19  27.68) = 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 = 3.76, residual support = 15.5:
        T HN    GLU-  79 - HN    ASP-  78   2.44 +/- 0.13  99.985% * 99.9158% (0.99 10.00   3.76  15.47) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.94 +/- 0.82   0.015% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.76, residual support = 15.5:
        T HN    ASP-  78 - HN    GLU-  79   2.44 +/- 0.13  99.926% * 99.9001% (0.56 10.00   3.76  15.47) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.16 +/- 0.37   0.074% *  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 = 4.24, residual support = 54.1:
      O   HA    GLU-  79 - HN    GLU-  79   2.68 +/- 0.13  98.772% * 99.4285% (0.60  10.0   4.24  54.09) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.68 +/- 0.35   1.191% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.35 +/- 0.51   0.018% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.32 +/- 0.58   0.011% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.18 +/- 1.77   0.004% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.16 +/- 1.21   0.003% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  22.84 +/- 1.30   0.000% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.78 +/- 0.67   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  32.96 +/- 1.96   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 = 3.84, residual support = 15.5:
      O   HA    ASP-  78 - HN    GLU-  79   3.57 +/- 0.08  99.170% * 98.7485% (0.08  10.0   3.84  15.47) =  99.994%  kept
          HA    PHE   45 - HN    GLU-  79   8.11 +/- 0.64   0.824% *  0.7232% (0.60   1.0   0.02   0.02) =   0.006%
          HA    VAL   41 - HN    GLU-  79  18.92 +/- 0.65   0.005% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.80 +/- 1.22   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.2:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.02 100.000% * 99.8354% (0.53  10.0   4.53  11.23) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  21.91 +/- 1.03   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 = 2.44:
          HA    ALA   47 - HN    THR   77   4.99 +/- 1.35  92.423% * 88.9728% (0.57   1.22   2.44) =  99.795%  kept
          HA    CYS   50 - HN    THR   77   8.82 +/- 1.22   4.176% *  2.5201% (0.98   0.02   0.02) =   0.128%
          HA    TRP   49 - HN    THR   77  10.63 +/- 1.46   1.376% *  2.2302% (0.87   0.02   0.02) =   0.037%
          HA    CYS   21 - HN    THR   77  12.66 +/- 0.73   1.176% *  1.7660% (0.69   0.02   0.02) =   0.025%
          HA    VAL  108 - HN    THR   77  13.57 +/- 1.59   0.595% *  1.1527% (0.45   0.02   0.02) =   0.008%
          HA1   GLY  109 - HN    THR   77  15.71 +/- 2.02   0.215% *  2.4812% (0.97   0.02   0.02) =   0.006%
          HA    LYS+ 102 - HN    THR   77  22.95 +/- 1.35   0.038% *  0.8770% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 7 structures by 0.84 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.256, support = 1.21, residual support = 11.8:
          HA    THR   46 - HN    THR   77   5.46 +/- 0.58  74.380% * 80.8901% (0.25   1.22  11.98) =  98.473%  kept
          HA    GLN   90 - HN    THR   77   6.99 +/- 1.48  24.969% *  3.6410% (0.69   0.02   0.02) =   1.488%  kept
          HA    VAL   42 - HN    THR   77  14.68 +/- 0.49   0.229% *  4.5979% (0.87   0.02   0.02) =   0.017%
          HA    ALA  110 - HN    THR   77  15.01 +/- 2.21   0.224% *  3.0010% (0.57   0.02   0.02) =   0.011%
          HA    PHE   55 - HN    THR   77  16.29 +/- 0.79   0.114% *  4.5979% (0.87   0.02   0.02) =   0.009%
          HA    GLN   17 - HN    THR   77  17.43 +/- 0.65   0.078% *  1.6360% (0.31   0.02   0.02) =   0.002%
          HA    SER   37 - HN    THR   77  26.67 +/- 0.65   0.006% *  1.6360% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 9 structures by 0.90 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   3.45 +/- 0.10  97.319% * 99.1602% (0.76  10.0   4.01  37.71) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.64 +/- 0.56   2.174% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   8.94 +/- 0.50   0.343% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.50 +/- 0.62   0.077% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  12.99 +/- 0.66   0.035% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.81 +/- 1.41   0.046% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.94 +/- 1.11   0.003% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  24.34 +/- 0.93   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.91 +/- 0.90   0.001% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  29.70 +/- 1.44   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.89 +/- 0.54   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  32.97 +/- 1.60   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.8, residual support = 36.5:
        T HN    LEU   80 - HN    LYS+  81   3.97 +/- 0.27  90.165% * 98.5772% (0.65 10.00   4.80  36.53) =  99.992%  kept
          HN    SER   85 - HN    LYS+  81   5.87 +/- 0.29   9.811% *  0.0683% (0.45  1.00   0.02   0.02) =   0.008%
        T HN    ALA   34 - HN    LYS+  81  23.69 +/- 3.32   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.77 +/- 1.76   0.017% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  21.77 +/- 3.79   0.005% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.17 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 19.3:
        T HN    SER   82 - HN    LYS+  81   2.68 +/- 0.11  99.983% * 99.8569% (1.00 10.00   4.57  19.31) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  11.60 +/- 0.75   0.017% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  26.30 +/- 1.58   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  26.42 +/- 3.33   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  29.33 +/- 2.14   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 = 5.67, residual support = 36.5:
      O   HA    LEU   80 - HN    LYS+  81   2.36 +/- 0.19  98.847% * 99.6041% (0.69  10.0   5.67  36.53) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   5.54 +/- 0.68   0.886% *  0.1372% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    LYS+  81   9.42 +/- 3.16   0.105% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   8.89 +/- 3.11   0.161% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  26.63 +/- 2.68   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 = 5.37, residual support = 110.1:
      O   HA    LYS+  81 - HN    LYS+  81   2.77 +/- 0.04  99.995% * 99.7055% (0.99  10.0   5.37 110.14) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  17.18 +/- 3.94   0.004% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.30 +/- 1.13   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  30.19 +/- 3.45   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  25.33 +/- 2.04   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  36.47 +/- 1.91   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.2, residual support = 34.8:
      O   HA    SER   82 - HN    SER   82   2.79 +/- 0.04  99.959% * 98.7108% (0.25  10.0   4.20  34.83) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  12.49 +/- 3.60   0.033% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  15.24 +/- 2.80   0.006% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.31 +/- 1.22   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  19.68 +/- 1.53   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  28.49 +/- 2.52   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.199, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   8.88 +/- 2.46  99.680% * 32.4951% (0.20   0.02   0.02) =  99.337%  kept
          HA    ASP- 105 - HN    SER   82  25.80 +/- 2.94   0.320% * 67.5049% (0.41   0.02   0.02) =   0.663%  kept
    Distance limit 4.27 A violated in 20 structures by 4.60 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.9:
        T HN    VAL   83 - HN    SER   82   2.70 +/- 0.11  99.994% * 99.9274% (1.00 10.00   5.62  19.95) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  15.69 +/- 1.75   0.006% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.57, residual support = 19.3:
          HN    LYS+  81 - HN    SER   82   2.68 +/- 0.11  99.962% * 99.3432% (1.00   4.57  19.31) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  11.90 +/- 3.60   0.036% *  0.0970% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.73 +/- 1.05   0.001% *  0.3490% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.77 +/- 1.78   0.000% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.82 +/- 1.23   0.000% *  0.1345% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.63, residual support = 43.1:
        T HN    ALA   84 - HN    VAL   83   2.60 +/- 0.05  99.999% * 99.6823% (0.75 10.00   7.63  43.09) = 100.000%  kept
          HN    LYS+ 111 - HN    VAL   83  21.81 +/- 2.00   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  23.04 +/- 4.26   0.000% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.71 +/- 1.25   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.18 +/- 1.53   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 = 19.9:
        T HN    SER   82 - HN    VAL   83   2.70 +/- 0.11  99.966% * 99.8569% (0.75 10.00   5.62  19.95) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.38 +/- 0.44   0.034% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  22.56 +/- 3.52   0.000% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  25.33 +/- 1.45   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  27.07 +/- 2.54   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 = 20.5:
        T HN    SER   85 - HN    ALA   84   2.57 +/- 0.07  99.993% * 99.8725% (0.99 10.00   3.77  20.52) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  13.30 +/- 1.33   0.006% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  20.93 +/- 2.91   0.000% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  22.78 +/- 2.42   0.000% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.63, residual support = 43.1:
        T HN    VAL   83 - HN    ALA   84   2.60 +/- 0.05  99.992% * 99.9274% (1.00 10.00   7.63  43.09) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  13.45 +/- 1.54   0.008% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.27, residual support = 5.02:
          HA    LYS+  81 - HN    ALA   84   3.24 +/- 0.20  99.982% * 95.7185% (0.80   2.27   5.02) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  16.04 +/- 3.05   0.012% *  0.5122% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.23 +/- 1.13   0.002% *  1.0156% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  22.38 +/- 2.12   0.001% *  0.4718% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  24.51 +/- 2.20   0.001% *  0.3248% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  23.77 +/- 3.62   0.001% *  0.1843% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  29.22 +/- 2.57   0.000% *  0.7229% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  34.09 +/- 1.80   0.000% *  1.0500% (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 = 0.442, support = 0.0199, residual support = 0.0199:
          HA    GLU-  25 - HN    VAL   83  11.50 +/- 2.93  69.379% * 13.1508% (0.34   0.02   0.02) =  57.634%  kept
          HA    THR   26 - HN    VAL   83  14.35 +/- 2.27  16.567% * 21.2999% (0.55   0.02   0.02) =  22.290%  kept
          HA    CYS   53 - HN    VAL   83  17.90 +/- 1.23   8.058% * 27.0775% (0.70   0.02   0.02) =  13.782%  kept
          HA    ILE   19 - HN    VAL   83  18.56 +/- 1.38   4.167% * 20.1488% (0.52   0.02   0.02) =   5.303%  kept
          HA1   GLY  101 - HN    VAL   83  22.60 +/- 4.10   1.212% *  7.3142% (0.19   0.02   0.02) =   0.560%  kept
          HA    GLU- 114 - HN    VAL   83  26.24 +/- 2.73   0.618% * 11.0089% (0.28   0.02   0.02) =   0.430%
    Distance limit 4.26 A violated in 20 structures by 6.27 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   4.31 +/- 0.10  62.237% * 97.9507% (0.58 10.00   2.60   5.17) =  98.996%  kept
          HN    LEU   80 - HN    VAL   83   4.79 +/- 0.66  37.725% *  1.6395% (0.26  1.00   0.75   0.02) =   1.004%  kept
        T HN    CYS   53 - HN    VAL   83  17.63 +/- 1.55   0.017% *  0.2245% (0.13 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    VAL   83  19.10 +/- 3.38   0.014% *  0.1279% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  21.19 +/- 2.92   0.007% *  0.0575% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 4.35, residual support = 7.56:
          HN    SER   82 - HN    ALA   84   3.69 +/- 0.12  99.000% * 99.2514% (0.87   4.35   7.56) =  99.996%  kept
          HN    GLN   90 - HN    ALA   84   8.08 +/- 0.49   0.997% *  0.3614% (0.69   0.02   0.02) =   0.004%
          HN    ILE  103 - HN    ALA   84  23.21 +/- 3.02   0.002% *  0.2561% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  26.16 +/- 1.02   0.001% *  0.1312% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.48 +/- 0.06  99.999% * 97.4561% (0.80   3.33  13.44) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  19.95 +/- 2.66   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  18.80 +/- 2.82   0.001% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  25.64 +/- 2.84   0.000% *  0.4725% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  27.46 +/- 2.71   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  32.37 +/- 1.78   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 = 20.5:
          HN    ALA   84 - HN    SER   85   2.57 +/- 0.07  99.946% * 97.8189% (0.90   3.77  20.52) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   9.25 +/- 0.50   0.050% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  15.91 +/- 3.30   0.003% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.98 +/- 0.95   0.000% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  21.65 +/- 1.80   0.000% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  25.11 +/- 1.06   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  26.66 +/- 4.11   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   4.31 +/- 0.10  99.910% * 99.9526% (0.87 10.00   2.60   5.17) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  14.74 +/- 1.61   0.090% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.19 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HA    SER   85 - HN    SER   85   2.81 +/- 0.02  96.252% * 99.3023% (0.99  10.0   3.65  18.12) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.94 +/- 0.05   3.314% *  0.0449% (0.45   1.0   0.02  13.44) =   0.002%
          HB    THR   77 - HN    SER   85   7.47 +/- 1.05   0.373% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85   9.85 +/- 0.49   0.055% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  16.19 +/- 0.96   0.003% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  18.24 +/- 2.00   0.002% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  23.62 +/- 2.84   0.000% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.83 +/- 1.03   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  29.60 +/- 1.84   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  31.91 +/- 1.35   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  39.71 +/- 2.25   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  36.86 +/- 2.01   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 = 0.592, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  18.29 +/- 2.19  12.881% * 23.1039% (0.98   0.02   0.02) =  32.819%  kept
          HA    CYS   53 - HN    SER   85  18.10 +/- 0.76  16.128% * 14.2963% (0.61   0.02   0.02) =  25.427%  kept
          HA    GLU-  25 - HN    SER   85  15.21 +/- 2.77  42.461% *  4.1279% (0.18   0.02   0.02) =  19.329%  kept
          HA    ASN   28 - HN    SER   85  17.83 +/- 3.19  16.500% *  5.2476% (0.22   0.02   0.02) =   9.549%  kept
          HA    ILE   19 - HN    SER   85  22.04 +/- 1.14   4.289% *  8.0401% (0.34   0.02   0.02) =   3.803%  kept
          HA    GLU- 114 - HN    SER   85  26.63 +/- 2.44   1.584% * 17.1158% (0.73   0.02   0.02) =   2.990%  kept
          HA1   GLY  101 - HN    SER   85  25.36 +/- 3.77   2.022% * 13.3446% (0.57   0.02   0.02) =   2.976%  kept
          HA    LEU  115 - HN    SER   85  23.95 +/- 2.02   2.829% *  5.8774% (0.25   0.02   0.02) =   1.834%  kept
          HA    ALA   34 - HN    SER   85  26.59 +/- 2.31   1.305% *  8.8463% (0.38   0.02   0.02) =   1.273%  kept
    Distance limit 3.82 A violated in 20 structures by 9.06 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   2.48 +/- 0.06  99.997% * 99.7141% (0.99 10.00   3.33  13.44) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  14.75 +/- 1.41   0.003% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  23.90 +/- 2.55   0.000% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  21.75 +/- 3.05   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   2.70 +/- 0.05  99.663% * 98.7385% (0.95   3.69  22.47) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   7.00 +/- 0.31   0.337% *  0.1746% (0.31   0.02  22.47) =   0.001%
          HN    GLN   17 - HN    ASP-  86  27.01 +/- 0.94   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  31.50 +/- 1.65   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.84, support = 4.02, residual support = 40.5:
      O   HA    ASP-  86 - HN    ASP-  86   2.74 +/- 0.01  80.190% * 84.6024% (0.87  10.0   4.05  41.58) =  96.173%  kept
      O   HA    SER   85 - HN    ASP-  86   3.51 +/- 0.01  17.936% * 15.0488% (0.15  10.0   3.27  13.44) =   3.826%  kept
          HA    TRP   87 - HN    ASP-  86   5.19 +/- 0.04   1.732% *  0.0271% (0.28   1.0   0.02  22.47) =   0.001%
          HB    THR   77 - HN    ASP-  86   8.21 +/- 0.80   0.139% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  15.82 +/- 1.11   0.002% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  25.64 +/- 3.00   0.000% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  31.99 +/- 1.53   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  36.92 +/- 2.11   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  39.67 +/- 2.40   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   2.70 +/- 0.05  99.998% * 98.4310% (1.00   3.69  22.47) = 100.000%  kept
          HN    GLU-  29 - HN    TRP   87  18.89 +/- 2.38   0.001% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    TRP   87  19.83 +/- 2.21   0.001% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  23.41 +/- 2.50   0.000% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  25.64 +/- 2.85   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  32.68 +/- 1.95   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.851, support = 4.1, residual support = 70.4:
      O   HA    TRP   87 - HN    TRP   87   2.90 +/- 0.04  78.578% * 78.1363% (0.90  10.0   4.16  74.01) =  92.954%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.03  21.422% * 21.7248% (0.25  10.0   3.39  22.47) =   7.046%  kept
          HA    LEU  104 - HN    TRP   87  24.29 +/- 2.47   0.000% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  23.93 +/- 1.27   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  32.26 +/- 1.43   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  37.36 +/- 1.88   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 = 1.88, residual support = 74.0:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.695% * 98.5329% (0.28  10.0   1.88  74.01) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2740% (0.73   1.0   0.02  74.01) =   0.003%
          HN    ALA   91 - HE1   TRP   87  10.88 +/- 1.23   0.059% *  0.3740% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HE1   TRP   87  13.14 +/- 2.58   0.018% *  0.3384% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  20.70 +/- 1.32   0.000% *  0.3642% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  24.06 +/- 2.34   0.000% *  0.1165% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.796, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HE1   TRP   87  10.97 +/- 3.34  96.738% * 80.1831% (0.80   0.02   0.02) =  99.174%  kept
          HZ    PHE   72 - HE1   TRP   87  21.78 +/- 1.98   3.262% * 19.8169% (0.20   0.02   0.02) =   0.826%  kept
    Distance limit 4.19 A violated in 20 structures by 6.69 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   2.76 +/- 0.14  60.321% * 98.4700% (0.28  10.0   3.10   5.34) =  99.952%  kept
          HA    SER   85 - HN    ALA   88   3.17 +/- 0.75  36.882% *  0.0546% (0.15   1.0   0.02   0.02) =   0.034%
          HA    ASP-  86 - HN    ALA   88   4.75 +/- 0.55   2.729% *  0.3072% (0.87   1.0   0.02   0.02) =   0.014%
          HB    THR   77 - HN    ALA   88   8.77 +/- 0.90   0.067% *  0.0546% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  16.45 +/- 0.65   0.001% *  0.0701% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  25.93 +/- 2.16   0.000% *  0.3418% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  34.31 +/- 1.24   0.000% *  0.3269% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  39.48 +/- 1.74   0.000% *  0.2958% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  42.34 +/- 2.17   0.000% *  0.0788% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.828, residual support = 19.8:
          HA    TRP   87 - HN    ILE   89   4.45 +/- 0.18  88.506% * 75.4850% (0.61   0.85  20.45) =  96.988%  kept
          HA    ASP-  86 - HN    ILE   89   6.27 +/- 0.29  11.484% * 18.0659% (0.53   0.23   0.02) =   3.012%  kept
          HA    LEU  104 - HN    ILE   89  24.38 +/- 1.84   0.004% *  2.7811% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ILE   89  22.32 +/- 1.01   0.006% *  0.4536% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  31.72 +/- 1.09   0.001% *  1.7832% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  37.01 +/- 1.52   0.000% *  1.4311% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.6:
          HN    ALA   91 - HN    GLN   90   2.27 +/- 0.35  99.971% * 99.1370% (0.92   6.75  32.55) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.09 +/- 0.81   0.028% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  18.52 +/- 1.60   0.000% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  18.36 +/- 1.52   0.000% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  25.55 +/- 0.86   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.41, residual support = 93.2:
      O   HA    GLN   90 - HN    GLN   90   2.86 +/- 0.03  92.916% * 68.5371% (0.34  10.0   5.48  95.31) =  96.674%  kept
          HA    ALA   91 - HN    GLN   90   4.47 +/- 0.33   7.065% * 31.0091% (0.87   1.0   3.56  32.55) =   3.326%  kept
          HA    ALA  110 - HN    GLN   90  13.67 +/- 1.50   0.011% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  15.96 +/- 0.80   0.003% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  16.81 +/- 1.92   0.004% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  19.40 +/- 1.42   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.3:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  95.31) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  32.67 +/- 2.79   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.98 +/- 1.99   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 = 95.3:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.981% * 99.4024% (0.76  10.0   1.00  95.31) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.18 +/- 1.10   0.015% *  0.0646% (0.25   1.0   0.02   6.31) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  10.20 +/- 1.84   0.004% *  0.0401% (0.15   1.0   0.02   0.57) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  16.11 +/- 2.09   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  19.71 +/- 2.25   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  24.52 +/- 3.16   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  32.43 +/- 2.42   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.47 +/- 3.24   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  32.67 +/- 2.79   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  32.94 +/- 1.35   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  34.28 +/- 2.62   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  33.87 +/- 1.83   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.6:
        T HN    GLN   90 - HN    ALA   91   2.27 +/- 0.35  99.966% * 99.6698% (0.95 10.00   6.75  32.55) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  10.55 +/- 1.95   0.020% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.98 +/- 0.69   0.005% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  18.36 +/- 1.52   0.000% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  13.31 +/- 3.08   0.008% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  22.92 +/- 1.62   0.000% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  17.95 +/- 1.58   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.88 +/- 1.46   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.117, support = 0.02, residual support = 22.4:
          HA    LEU   73 - HN    TRP   27   7.88 +/- 0.49  99.148% * 10.9973% (0.08   0.02  23.92) =  93.495%  kept
          HA    LEU   73 - HN    ALA   91  17.75 +/- 1.17   0.852% * 89.0027% (0.65   0.02   0.02) =   6.505%  kept
    Distance limit 4.38 A violated in 20 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.889, support = 3.4, residual support = 26.2:
      O   HA    ALA   91 - HN    ALA   91   2.89 +/- 0.02  45.362% * 89.2967% (1.00  10.0   3.12  14.57) =  87.649%  kept
      O   HA    TRP   27 - HN    TRP   27   2.80 +/- 0.04  54.567% * 10.4606% (0.12  10.0   5.37 108.46) =  12.351%  kept
          HA    PRO   52 - HN    ALA   91  10.61 +/- 2.05   0.055% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  14.96 +/- 0.75   0.002% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.15 +/- 1.54   0.012% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.41 +/- 1.44   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.25 +/- 1.70   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  20.68 +/- 1.16   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.50 +/- 1.22   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  22.96 +/- 1.96   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 14.2:
          HN    ALA   91 - HN    MET   92   4.06 +/- 0.34  99.305% * 98.2289% (0.99   3.55  14.21) =  99.998%  kept
          HD1   TRP   87 - HN    MET   92  10.14 +/- 1.71   0.496% *  0.1551% (0.28   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    MET   92  14.13 +/- 2.13   0.106% *  0.5384% (0.97   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    MET   92  13.53 +/- 1.22   0.077% *  0.4051% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  18.02 +/- 1.61   0.014% *  0.5003% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  26.01 +/- 1.42   0.002% *  0.1722% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.52, residual support = 64.0:
      O   HA    MET   92 - HN    MET   92   2.85 +/- 0.04  99.255% * 99.1845% (0.25  10.0   4.52  64.04) =  99.999%  kept
          HA    PHE   45 - HN    MET   92   7.38 +/- 1.65   0.743% *  0.0992% (0.25   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    MET   92  18.87 +/- 1.13   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  22.27 +/- 1.20   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.55, residual support = 14.2:
      O   HA    ALA   91 - HN    MET   92   2.36 +/- 0.22  99.826% * 99.6892% (0.80  10.0   3.55  14.21) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   9.09 +/- 1.58   0.153% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.02 +/- 0.74   0.007% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  12.07 +/- 1.70   0.013% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  18.36 +/- 1.65   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   2.87 +/- 0.40  99.264% * 99.8946% (0.95 10.00   3.30  27.19) =  99.999%  kept
          HN    ALA  110 - HN    THR   94   7.23 +/- 1.81   0.736% *  0.1054% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.71 +/- 0.48 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.30 A violated in 20 structures by 4.40 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.03  99.978% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.11 +/- 0.79   0.022% *  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 = 0.974, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.80 +/- 0.18  90.561% * 54.6147% (1.00   0.02   0.02) =  94.098%  kept
          HA    LYS+  74 - HN    THR   94   8.71 +/- 0.57   9.288% * 33.1992% (0.61   0.02   0.02) =   5.867%  kept
          HA    HIS  122 - HN    THR   94  17.12 +/- 1.38   0.151% * 12.1862% (0.22   0.02   0.02) =   0.035%
    Distance limit 3.73 A violated in 20 structures by 1.98 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 = 45.8:
          HN    VAL  107 - HN    PHE   95   3.04 +/- 0.80  99.962% * 99.0525% (0.97   2.00  45.81) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.98 +/- 1.00   0.038% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 1 structures by 0.11 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.50 +/- 0.32  99.494% * 99.3374% (0.87   3.86  73.49) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  11.23 +/- 1.04   0.191% *  0.5147% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95  10.30 +/- 1.83   0.316% *  0.1479% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.49) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.4:
      O   HA    THR   94 - HN    PHE   95   2.21 +/- 0.05  99.971% * 99.8515% (0.65  10.0   3.16  14.40) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.58 +/- 0.36   0.009% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.08 +/- 0.28   0.021% *  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   2.22 +/- 0.04 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.6:
      O   HA    MET   96 - HN    MET   96   2.92 +/- 0.01  99.673% * 99.9800% (0.94  10.0   4.09 115.55) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.80 +/- 0.72   0.327% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.48, residual support = 56.9:
        T HN    ASP- 105 - HN    PHE   97   3.44 +/- 0.62  99.995% * 99.9802% (1.00 10.00   4.48  56.87) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  20.33 +/- 2.04   0.005% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   2.88 +/- 0.85  99.992% * 98.9936% (0.80   4.10  62.64) = 100.000%  kept
          HZ3   TRP   87 - HN    PHE   97  17.76 +/- 3.22   0.007% *  0.5233% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    PHE   97  22.73 +/- 2.07   0.001% *  0.4831% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.9, residual support = 9.99:
          HA    LYS+ 106 - HN    PHE   97   3.77 +/- 0.47 100.000% *100.0000% (0.98   2.90   9.99) = 100.000%  kept
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 46.1:
      O   HA    MET   96 - HN    PHE   97   2.28 +/- 0.11  99.984% * 99.9800% (0.99  10.0   6.07  46.05) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.93 +/- 0.86   0.016% *  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 = 5.24, residual support = 26.3:
        T HN    VAL   41 - HN    LEU   98   3.31 +/- 0.76 100.000% *100.0000% (0.69 10.00   5.24  26.28) = 100.000%  kept
    Distance limit 3.92 A violated in 2 structures by 0.13 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.14, residual support = 80.5:
      O   HA    LEU   98 - HN    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.14  80.46) = 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 = 3.41, residual support = 10.8:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.03 100.000% *100.0000% (0.98  10.0   3.41  10.84) = 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 = 0.483, support = 1.46, residual support = 4.93:
          HA    VAL   42 - HN    LEU   98   3.68 +/- 0.89  76.795% * 25.9708% (0.45   0.95   0.48) =  55.956%  kept
          HA    LEU   40 - HN    LEU   98   4.83 +/- 0.83  23.134% * 67.8550% (0.53   2.11  10.58) =  44.042%  kept
          HA    SER   37 - HN    LEU   98  13.86 +/- 0.98   0.028% *  1.1775% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.48 +/- 1.25   0.013% *  1.1775% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.57 +/- 0.79   0.010% *  1.2093% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  15.78 +/- 1.21   0.012% *  0.8860% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  18.44 +/- 1.05   0.006% *  0.8381% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.14 +/- 1.45   0.002% *  0.8860% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.94, support = 0.906, residual support = 1.75:
          HN    LYS+ 102 - HN    LYS+  99   2.65 +/- 0.63  98.466% * 58.6998% (0.95   0.89   1.77) =  99.168%  kept
          HN    ASP- 105 - HN    LYS+  99   6.39 +/- 0.51   1.246% * 38.8314% (0.18   3.17   0.02) =   0.830%  kept
          HN    THR   39 - HN    LYS+  99   9.31 +/- 0.72   0.113% *  0.5249% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  11.71 +/- 1.02   0.032% *  1.1200% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.44 +/- 0.33   0.105% *  0.0736% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.70 +/- 0.82   0.027% *  0.0345% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  14.50 +/- 1.57   0.007% *  0.0869% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  20.80 +/- 2.47   0.001% *  0.5750% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  17.86 +/- 2.15   0.002% *  0.0378% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.57 +/- 1.00   0.003% *  0.0161% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.35, residual support = 18.4:
      O   HA    LEU   98 - HN    LYS+  99   2.20 +/- 0.04  99.998% * 99.9934% (0.99  10.0   4.35  18.35) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  13.44 +/- 1.24   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.21, residual support = 175.6:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.02  99.734% * 99.5300% (0.80  10.0   5.21 175.58) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   8.80 +/- 1.16   0.191% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  15.43 +/- 3.25   0.007% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.52 +/- 0.59   0.049% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.56 +/- 1.35   0.002% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.17 +/- 1.23   0.014% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.62 +/- 1.22   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.17 +/- 1.32   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  23.90 +/- 2.41   0.000% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.70 +/- 0.94   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.42 +/- 1.01   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.33 +/- 2.70   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  21.58 +/- 2.47   0.001% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.55 +/- 0.83   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   3.03 +/- 0.47  95.478% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.84 +/- 1.16   4.522% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 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  85.123% * 99.5956% (0.99  10.0   6.83  39.58) =  99.996%  kept
          HA    LEU   40 - HN    GLU- 100   3.80 +/- 1.32  13.771% *  0.0199% (0.20   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    GLU- 100   5.46 +/- 1.27   1.105% *  0.0928% (0.92   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 100  16.43 +/- 3.76   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.35 +/- 1.56   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.22 +/- 1.68   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.69 +/- 1.35   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 = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.37 +/- 0.58  99.797% * 98.8244% (0.95   3.13  12.53) =  99.999%  kept
          HN    GLU-  36 - HN    GLY  101   9.38 +/- 1.00   0.070% *  0.5342% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY  101   8.29 +/- 1.08   0.084% *  0.2504% (0.38   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.50 +/- 0.46   0.050% *  0.1168% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  21.58 +/- 2.69   0.000% *  0.2743% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.887, residual support = 1.77:
          HN    LYS+  99 - HN    LYS+ 102   2.65 +/- 0.63  99.881% * 94.8053% (0.98   0.89   1.77) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  14.34 +/- 4.56   0.037% *  2.0623% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102   9.96 +/- 1.21   0.074% *  0.3364% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  14.50 +/- 1.57   0.007% *  0.5436% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.13 +/- 1.44   0.000% *  1.8210% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  24.84 +/- 3.26   0.000% *  0.4314% (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 = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.37 +/- 0.58  99.968% * 99.9864% (1.00 10.00   3.13  12.53) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.59 +/- 1.15   0.032% *  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   3.03 +/- 0.47 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.984, support = 1.42, residual support = 1.4:
          HA    LYS+  99 - HN    GLY  101   3.83 +/- 0.56  82.610% * 89.3682% (0.99   1.43   1.41) =  99.166%  kept
          HA    LEU   40 - HN    GLY  101   6.00 +/- 1.37   9.023% *  5.8051% (0.20   0.47   0.02) =   0.704%  kept
          HA    ASN   35 - HN    GLY  101   6.36 +/- 1.05   8.348% *  1.1645% (0.92   0.02   0.02) =   0.131%
          HA    LEU  123 - HN    GLY  101  18.05 +/- 3.50   0.012% *  1.0101% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.83 +/- 1.52   0.002% *  1.1314% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  24.72 +/- 1.22   0.002% *  1.1314% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.21 +/- 1.58   0.004% *  0.3894% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.49 +/- 0.19  99.875% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.29 +/- 1.40   0.110% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  11.68 +/- 1.64   0.013% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.15 +/- 1.63   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.20 +/- 1.01   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.13 +/- 1.77   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  19.68 +/- 3.06   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.46 +/- 1.42   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.67, residual support = 37.0:
          HN    LEU  104 - HN    ILE  103   4.56 +/- 0.05  99.950% * 99.3994% (0.49   6.67  36.96) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.39 +/- 0.83   0.050% *  0.6006% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.14 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 22.2:
      O   HA    LYS+ 102 - HN    ILE  103   2.27 +/- 0.10  99.999% * 99.7796% (0.97  10.0   5.96  22.16) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.40 +/- 1.48   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.86 +/- 0.73   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.98 +/- 1.07   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.59 +/- 1.48   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.62 +/- 2.09   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 = 7.01, residual support = 135.7:
      O   HA    ILE  103 - HN    ILE  103   2.84 +/- 0.05  99.982% * 99.2916% (0.98  10.0   7.01 135.69) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.27 +/- 0.69   0.010% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.81 +/- 0.91   0.005% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  22.19 +/- 1.68   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  25.46 +/- 2.85   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.74 +/- 1.23   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  26.15 +/- 1.68   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  22.80 +/- 3.76   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.46 +/- 1.37   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  32.29 +/- 2.03   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.31 +/- 1.11   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.50 +/- 1.53   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 = 7.17, residual support = 40.9:
        T HN    ASP- 105 - HN    LEU  104   2.23 +/- 0.10 100.000% * 99.9802% (1.00 10.00   7.17  40.93) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  23.73 +/- 2.16   0.000% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.91, residual support = 6.58:
          HA    LEU   98 - HN    LEU  104   3.34 +/- 0.66 100.000% *100.0000% (0.80   2.91   6.58) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.56, residual support = 37.0:
      O   HA    ILE  103 - HN    LEU  104   2.21 +/- 0.04  99.990% * 99.2645% (0.95  10.0   6.56  36.96) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  12.20 +/- 0.74   0.004% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  11.69 +/- 0.74   0.005% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  21.08 +/- 1.18   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  25.57 +/- 2.29   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  23.55 +/- 3.26   0.000% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.19 +/- 0.94   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  25.09 +/- 1.24   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.77 +/- 1.19   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.79 +/- 0.92   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.53 +/- 1.94   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.36 +/- 1.61   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 = 4.48, residual support = 56.9:
        T HN    PHE   97 - HN    ASP- 105   3.44 +/- 0.62  99.883% * 99.7623% (0.73 10.00   4.48  56.87) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.46 +/- 1.04   0.098% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  15.70 +/- 0.95   0.019% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.74 +/- 1.77   0.000% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.12 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.17, residual support = 40.9:
        T HN    LEU  104 - HN    ASP- 105   2.23 +/- 0.10  99.998% * 99.9822% (0.87 10.00   7.17  40.93) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.93 +/- 1.03   0.002% *  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 +/- 0.01 100.000% *100.0000% (0.95  10.0   5.18 135.77) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 21.8:
      O   HA    ASP- 105 - HN    LYS+ 106   2.60 +/- 0.12  99.999% * 99.6913% (0.92  10.0   3.49  21.80) = 100.000%  kept
          HA    THR   23 - HN    LYS+ 106  20.77 +/- 1.59   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  22.85 +/- 1.51   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    LYS+ 106  24.01 +/- 2.82   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  23.03 +/- 1.21   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 = 4.4, residual support = 42.6:
      O   HA    ASP- 105 - HN    ASP- 105   2.80 +/- 0.14  99.998% * 99.6913% (0.92  10.0   4.40  42.57) = 100.000%  kept
          HA    THR   23 - HN    ASP- 105  20.00 +/- 1.37   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  22.04 +/- 1.27   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ASP- 105  24.24 +/- 3.04   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  24.12 +/- 1.11   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 = 0.383, support = 5.94, residual support = 35.8:
      O   HA    LEU  104 - HN    ASP- 105   3.60 +/- 0.04  64.369% * 76.4724% (0.34  10.0   6.41  40.93) =  86.232%  kept
          HA    ILE  103 - HN    ASP- 105   3.99 +/- 0.22  35.520% * 22.1268% (0.65   1.0   3.05   3.89) =  13.768%  kept
          HA    ASP-  44 - HN    ASP- 105  11.29 +/- 0.64   0.073% *  0.1873% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.09 +/- 0.80   0.030% *  0.0499% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  20.29 +/- 1.14   0.002% *  0.1713% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  23.29 +/- 3.12   0.001% *  0.1795% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  24.24 +/- 1.11   0.001% *  0.1628% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  25.01 +/- 2.11   0.001% *  0.1713% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  29.09 +/- 1.47   0.000% *  0.1873% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  24.73 +/- 1.15   0.001% *  0.0623% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  31.47 +/- 1.71   0.000% *  0.1945% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.13 +/- 0.94   0.001% *  0.0346% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.44:
          QD    PHE   97 - HN    VAL  107   5.33 +/- 1.18  99.668% * 98.5222% (0.87   1.50   2.44) =  99.997%  kept
          HZ3   TRP   87 - HN    VAL  107  17.88 +/- 3.05   0.234% *  1.2126% (0.80   0.02   0.02) =   0.003%
          HE3   TRP   49 - HN    VAL  107  18.94 +/- 2.06   0.099% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 11 structures by 1.09 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.24 +/- 0.06 100.000% *100.0000% (0.98  10.0   4.58  26.83) = 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   2.93 +/- 0.00  99.754% * 99.7406% (0.95  10.0   3.66  58.23) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.54 +/- 1.27   0.227% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  13.99 +/- 0.69   0.009% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.01 +/- 0.61   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.67 +/- 1.19   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 = 5.76, residual support = 56.9:
          QD    PHE   97 - HN    ASP- 105   3.33 +/- 0.42  99.994% * 99.6109% (0.87   5.76  56.87) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  20.09 +/- 3.47   0.006% *  0.3193% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  25.05 +/- 2.13   0.001% *  0.0698% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.285, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.96 +/- 1.44  82.862% * 19.2756% (0.26   0.02   0.02) =  77.630%  kept
          HA    MET   92 - HN    GLY  109   7.01 +/- 1.98  16.270% * 25.3346% (0.34   0.02   0.02) =  20.034%  kept
          HA    LYS+  74 - HN    GLY  109  14.67 +/- 1.57   0.868% * 55.3898% (0.74   0.02   0.02) =   2.336%  kept
    Distance limit 4.36 A violated in 5 structures by 0.65 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 = 0.489, support = 2.23, residual support = 8.23:
      O   HA    VAL  108 - HN    GLY  109   2.25 +/- 0.04  77.431% * 31.6430% (0.34  10.0   2.33   7.62) =  61.479%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.79 +/- 0.22  22.539% * 68.1141% (0.73  10.0   2.07   9.21) =  38.521%  kept
          HA    CYS   50 - HN    GLY  109  12.03 +/- 2.54   0.018% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  11.69 +/- 2.49   0.009% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.97 +/- 2.98   0.002% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.91 +/- 1.65   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.44 +/- 0.59   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 = 0.898, support = 3.01, residual support = 9.01:
          HN    LYS+ 111 - HN    ALA  110   3.28 +/- 0.64  94.053% * 77.5301% (0.90   3.04   9.08) =  98.382%  kept
          HN    ILE   56 - HN    ALA  110   7.70 +/- 2.73   5.740% * 20.8845% (0.98   0.75   5.05) =   1.617%  kept
          HZ2   TRP   87 - HN    ALA  110  17.83 +/- 3.84   0.174% *  0.0995% (0.18   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    ALA  110  13.83 +/- 2.28   0.024% *  0.5245% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  18.13 +/- 2.04   0.008% *  0.5096% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  21.39 +/- 1.23   0.002% *  0.1754% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.77 +/- 2.11   0.000% *  0.2766% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.15:
      O   HA1   GLY  109 - HN    ALA  110   3.32 +/- 0.48  60.129% * 93.8842% (0.69  10.0   2.07   6.40) =  96.098%  kept
          HA    VAL  108 - HN    ALA  110   4.12 +/- 1.09  39.681% *  5.7754% (0.80   1.0   1.06   0.02) =   3.901%  kept
          HA    CYS   50 - HN    ALA  110  11.31 +/- 2.73   0.115% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  11.83 +/- 2.39   0.056% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.43 +/- 2.99   0.018% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.72 +/- 2.09   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.30 +/- 0.13  99.651% * 98.1886% (0.18  10.0   2.74   9.59) =  99.998%  kept
          HA    VAL  107 - HN    ALA  110   6.63 +/- 0.85   0.215% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA  110   8.45 +/- 2.05   0.107% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    ALA  110  10.37 +/- 1.80   0.027% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.61 +/- 1.68   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 = 5.43, residual support = 28.5:
        T HN    LYS+ 112 - HN    LYS+ 111   4.11 +/- 0.50  99.885% * 99.8172% (0.99 10.00   5.43  28.51) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.17 +/- 1.51   0.086% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.35 +/- 1.59   0.012% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.45 +/- 1.55   0.016% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  40.10 +/- 2.20   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.19 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.08:
        T HN    ALA  110 - HN    LYS+ 111   3.28 +/- 0.64  99.893% * 99.9053% (1.00 10.00   3.04   9.08) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.25 +/- 1.43   0.107% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.807, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.49 +/- 1.08  45.349% * 58.2608% (1.00   0.02   0.02) =  70.133%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.09 +/- 1.37  35.054% * 19.8732% (0.34   0.02   0.02) =  18.492%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.30 +/- 1.30  19.597% * 21.8659% (0.38   0.02   0.02) =  11.374%  kept
    Distance limit 4.43 A violated in 20 structures by 5.41 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 = 9.08:
      O   HA    ALA  110 - HN    LYS+ 111   2.91 +/- 0.28  96.881% * 99.3312% (0.45  10.0   3.04   9.08) =  99.993%  kept
          HA    VAL  107 - HN    LYS+ 111   5.94 +/- 1.48   3.008% *  0.2138% (0.97   1.0   0.02   0.02) =   0.007%
          HA    ALA   91 - HN    LYS+ 111  12.65 +/- 1.45   0.022% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111  10.03 +/- 1.32   0.084% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  16.09 +/- 1.36   0.004% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  23.16 +/- 1.54   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.19, residual support = 28.5:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.45 +/- 0.34  99.936% * 99.8075% (0.53  10.0   7.19  28.51) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.13 +/- 0.81   0.062% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.07 +/- 0.90   0.002% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.18, residual support = 21.9:
        T HN    GLU- 114 - HN    ASP- 113   2.48 +/- 0.16  97.599% * 99.7300% (0.81 10.00   4.18  21.85) =  99.998%  kept
          HN    GLN  116 - HN    ASP- 113   4.71 +/- 0.24   2.286% *  0.0946% (0.76  1.00   0.02   1.50) =   0.002%
          HN    THR  118 - HN    ASP- 113   7.87 +/- 0.50   0.108% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.38 +/- 0.79   0.007% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.93 +/- 1.46   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.18, residual support = 21.9:
        T HN    ASP- 113 - HN    GLU- 114   2.48 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.18  21.85) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.61, residual support = 44.3:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.05  97.193% * 99.6055% (0.97  10.0   3.61  44.28) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.10 +/- 0.13   2.789% *  0.0543% (0.53   1.0   0.02  15.18) =   0.002%
          HA    CYS   53 - HN    GLU- 114  12.13 +/- 0.96   0.018% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.57 +/- 1.58   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.47 +/- 1.48   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.08 +/- 1.53   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.82 +/- 1.22   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.85:
          HA    LYS+ 111 - HN    ASP- 113   3.66 +/- 0.54  99.511% * 99.1962% (0.74   2.18   3.85) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.03 +/- 0.77   0.313% *  0.2618% (0.21   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASP- 113  11.65 +/- 1.02   0.166% *  0.3582% (0.29   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.23 +/- 0.87   0.009% *  0.1839% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.44, residual support = 14.3:
      O   HA    ASP- 113 - HN    ASP- 113   2.82 +/- 0.04  99.843% * 99.6702% (0.85  10.0   3.44  14.32) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.03 +/- 1.01   0.123% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.25 +/- 1.08   0.030% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  17.19 +/- 0.49   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.03 +/- 1.26   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  23.70 +/- 2.85   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.53 +/- 1.51   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.92, support = 7.55, residual support = 84.2:
        T HN    GLN  116 - HN    LEU  115   2.76 +/- 0.15  38.822% * 85.3134% (0.99 10.00   8.16 102.24) =  79.288%  kept
          HN    GLU- 114 - HN    LEU  115   2.56 +/- 0.14  59.651% * 14.5022% (0.65  1.00   5.21  15.18) =  20.709%  kept
          HN    THR  118 - HN    LEU  115   4.81 +/- 0.38   1.508% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.93 +/- 0.61   0.019% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.34 +/- 1.38   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.09 +/- 0.97   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 = 8.16, residual support = 102.2:
        T HN    LEU  115 - HN    GLN  116   2.76 +/- 0.15  99.992% * 99.8619% (0.98 10.00   8.16 102.24) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.51 +/- 0.84   0.008% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  34.22 +/- 1.37   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 = 5.66, residual support = 27.9:
        T HN    SER  117 - HN    GLN  116   2.77 +/- 0.10  99.999% * 99.8966% (0.97 10.00   5.66  27.87) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.53 +/- 1.07   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  28.13 +/- 2.11   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 = 0.966, support = 4.07, residual support = 15.3:
        T HN    THR  118 - HN    SER  117   2.65 +/- 0.16  55.845% * 48.6147% (0.95 10.00   2.79   5.27) =  55.586%  kept
        T HN    GLN  116 - HN    SER  117   2.77 +/- 0.10  42.585% * 50.9371% (0.99 10.00   5.66  27.87) =  44.413%  kept
          HN    GLU- 114 - HN    SER  117   4.81 +/- 0.25   1.562% *  0.0332% (0.65  1.00   0.02   0.18) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.63 +/- 0.70   0.008% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  18.84 +/- 1.41   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.85 +/- 1.20   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 = 2.56, residual support = 123.7:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.992% * 99.8133% (0.95  10.0   2.56 123.66) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   8.90 +/- 1.26   0.008% *  0.1018% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.93 +/- 1.30   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  24.35 +/- 2.42   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.56, residual support = 123.7:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.170% * 99.7477% (0.90  10.0 10.00   2.56 123.66) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   5.15 +/- 1.39   0.813% *  0.1090% (0.98   1.0  1.00   0.02   0.28) =   0.001%
          HN    ALA  124 - HE22  GLN  116   8.75 +/- 1.75   0.015% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.71 +/- 2.48   0.002% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  28.54 +/- 3.33   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.80 +/- 0.31  96.529% * 91.8913% (1.00   0.75   1.50) =  99.942%  kept
          HA    PHE   59 - HN    GLN  116   7.88 +/- 0.90   1.743% *  1.4896% (0.61   0.02   0.40) =   0.029%
          HA    ILE   56 - HN    GLN  116   7.81 +/- 0.79   1.642% *  1.4896% (0.61   0.02   0.02) =   0.028%
          HA    LEU  123 - HN    GLN  116  12.75 +/- 0.57   0.077% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.58 +/- 1.18   0.006% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.22 +/- 1.45   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  24.47 +/- 2.25   0.002% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.03, residual support = 123.7:
      O   HA    GLN  116 - HN    GLN  116   2.73 +/- 0.04  99.997% * 99.5202% (1.00  10.0   7.03 123.66) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.04 +/- 1.30   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.96 +/- 0.84   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  20.09 +/- 1.12   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.26 +/- 0.94   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.30 +/- 1.48   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.92 +/- 0.88   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.30 +/- 0.92   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  29.08 +/- 2.23   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.954, support = 7.24, residual support = 201.9:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.05  82.131% * 60.5049% (1.00  10.0   7.57 228.22) =  87.644%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.59 +/- 0.04  17.859% * 39.2280% (0.65  10.0   4.90  15.18) =  12.356%  kept
          HA    ARG+  54 - HN    LEU  115  13.31 +/- 0.63   0.007% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  16.05 +/- 0.77   0.002% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.23 +/- 1.16   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.31 +/- 1.16   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.50 +/- 1.12   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  24.97 +/- 1.97   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.82 +/- 0.92   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 = 3.56, residual support = 15.1:
      O   HA    SER  117 - HN    SER  117   2.78 +/- 0.05  99.991% * 99.4282% (0.38  10.0   3.56  15.13) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.69 +/- 1.23   0.008% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  28.02 +/- 0.95   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  30.00 +/- 2.43   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 = 54.9:
        T HN    ILE  119 - HN    ALA  120   2.52 +/- 0.09 100.000% * 99.2864% (0.83 10.00   5.57  54.86) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.95 +/- 0.80   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  23.96 +/- 1.81   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  26.25 +/- 1.30   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 = 6.7, residual support = 53.2:
          HN    HIS  122 - HN    LYS+ 121   2.89 +/- 0.26  98.909% * 99.4519% (0.80   6.70  53.20) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.91 +/- 0.90   1.069% *  0.0740% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  12.43 +/- 1.10   0.022% *  0.1800% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  26.43 +/- 3.76   0.000% *  0.2941% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 6.23, residual support = 39.3:
          HN    LEU  123 - HN    HIS  122   2.57 +/- 0.25  97.989% * 99.6043% (0.26   6.23  39.33) =  99.998%  kept
          HN    ALA  124 - HN    HIS  122   5.22 +/- 0.64   2.010% *  0.1097% (0.09   0.02   0.02) =   0.002%
          HE21  GLN   17 - HN    HIS  122  20.41 +/- 1.20   0.000% *  0.1501% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  24.75 +/- 2.33   0.000% *  0.1358% (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 = 6.23, residual support = 39.3:
          HN    HIS  122 - HN    LEU  123   2.57 +/- 0.25  99.852% * 99.1843% (0.87   6.23  39.33) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.66 +/- 1.22   0.141% *  0.1930% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.50 +/- 1.25   0.006% *  0.3290% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  28.54 +/- 3.45   0.000% *  0.2937% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.37, residual support = 12.0:
      O   HA    LEU  123 - HN    ALA  124   3.48 +/- 0.35  99.887% * 99.5133% (1.00  10.0   4.37  12.05) = 100.000%  kept
          HA    ASP- 113 - HN    ALA  124  13.74 +/- 1.28   0.037% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  15.97 +/- 3.06   0.021% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  16.45 +/- 1.37   0.013% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.46 +/- 2.85   0.023% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.43 +/- 1.57   0.013% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  22.56 +/- 3.40   0.002% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  20.70 +/- 1.51   0.003% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  25.56 +/- 1.86   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 = 1.81, residual support = 9.24:
      O   HA    ALA  124 - HN    ALA  124   2.78 +/- 0.16  99.982% * 99.5742% (1.00  10.0   1.81   9.24) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  12.22 +/- 0.86   0.016% *  0.0493% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.03 +/- 1.64   0.000% *  0.1061% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  21.28 +/- 2.55   0.001% *  0.0339% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  25.41 +/- 3.31   0.000% *  0.0755% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  20.69 +/- 2.77   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  26.30 +/- 2.09   0.000% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  33.81 +/- 1.47   0.000% *  0.0881% (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 = 4.93, residual support = 39.3:
      O   HA    HIS  122 - HN    LEU  123   3.30 +/- 0.20  99.980% * 99.8702% (1.00  10.0   4.93  39.33) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  14.82 +/- 2.36   0.016% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.24 +/- 1.01   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  21.79 +/- 1.17   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.19, residual support = 203.7:
      O   HA    LEU  123 - HN    LEU  123   2.91 +/- 0.03  99.929% * 99.5133% (1.00  10.0   6.19 203.69) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  13.77 +/- 3.14   0.019% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.18 +/- 2.94   0.021% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.02 +/- 1.33   0.007% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.39 +/- 0.83   0.012% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  15.08 +/- 1.62   0.009% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  20.47 +/- 3.41   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  18.88 +/- 1.36   0.002% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.05 +/- 1.50   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 = 6.6, residual support = 72.7:
          HD2   HIS  122 - HN    HIS  122   2.81 +/- 0.53  99.728% * 97.1835% (0.11   6.60  72.69) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.14 +/- 1.76   0.271% *  0.3253% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  21.72 +/- 1.16   0.001% *  0.9349% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  27.55 +/- 3.16   0.000% *  0.8273% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  30.21 +/- 1.39   0.000% *  0.7289% (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 = 5.16, residual support = 72.7:
      O   HA    HIS  122 - HN    HIS  122   2.84 +/- 0.07  99.984% * 99.8131% (0.30  10.0   5.16  72.69) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.09 +/- 2.16   0.015% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.11 +/- 1.08   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.561, support = 5.54, residual support = 234.5:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.04  80.344% * 38.4533% (0.49  10.0   6.31 316.40) =  73.990%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.54 +/- 0.02  17.750% * 61.1842% (0.77  10.0   3.36   1.62) =  26.009%  kept
          QB    SER  117 - HN    LYS+ 121   5.40 +/- 0.61   1.897% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.20 +/- 1.57   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.22 +/- 1.10   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.31 +/- 1.41   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.11 +/- 0.68   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.56 +/- 1.27   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.67 +/- 1.09   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  28.23 +/- 1.81   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.55 +/- 2.24   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  28.58 +/- 1.24   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 = 13.9:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.05  95.010% * 99.2369% (0.74  10.0   3.61  13.89) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.14 +/- 0.15   2.481% *  0.0465% (0.35   1.0   0.02   1.62) =   0.001%
          QB    SER  117 - HN    ALA  120   5.15 +/- 0.24   2.499% *  0.0168% (0.12   1.0   0.02   5.54) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.72 +/- 1.30   0.005% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.43 +/- 1.35   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.34 +/- 0.90   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.50 +/- 1.23   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.50 +/- 0.72   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.08 +/- 1.39   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  28.38 +/- 1.42   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.29 +/- 1.94   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.88 +/- 0.81   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  28.53 +/- 1.09   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 = 0.307, support = 3.5, residual support = 123.7:
      O   HG2   GLN  116 - HE22  GLN  116   3.29 +/- 0.52  74.582% * 37.6518% (0.25  10.0   3.54 123.66) =  64.048%  kept
      O   HG3   GLN  116 - HE22  GLN  116   3.96 +/- 0.28  25.392% * 62.0774% (0.41  10.0   3.42 123.66) =  35.952%  kept
          HB3   PHE   95 - HE22  GLN  116  12.86 +/- 1.29   0.025% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  26.25 +/- 2.41   0.000% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  33.17 +/- 1.52   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 = 4.39, residual support = 12.0:
          HB2   LEU  123 - HN    ALA  124   2.46 +/- 0.76  98.895% * 96.3681% (0.76   4.39  12.05) =  99.995%  kept
          HB2   LYS+ 121 - HN    ALA  124   6.75 +/- 0.97   1.080% *  0.4168% (0.73   0.02   0.02) =   0.005%
          QD    LYS+  65 - HN    ALA  124  14.90 +/- 1.66   0.013% *  0.4387% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  17.77 +/- 3.04   0.003% *  0.5430% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  17.75 +/- 3.29   0.003% *  0.5430% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  20.40 +/- 1.55   0.001% *  0.4596% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  18.92 +/- 1.50   0.001% *  0.2794% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.62 +/- 1.48   0.001% *  0.1431% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.44 +/- 1.21   0.001% *  0.1136% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  22.98 +/- 1.23   0.000% *  0.2154% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  29.89 +/- 2.16   0.000% *  0.4794% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.24:
      O   QB    ALA  124 - HN    ALA  124   2.20 +/- 0.28  99.989% * 98.5555% (0.65  10.0   1.81   9.24) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.49 +/- 1.33   0.004% *  0.0630% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  15.60 +/- 2.30   0.001% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  16.09 +/- 1.59   0.002% *  0.0951% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  14.75 +/- 1.96   0.002% *  0.0951% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  16.69 +/- 1.12   0.001% *  0.1283% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  18.10 +/- 2.27   0.000% *  0.1283% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  19.16 +/- 1.16   0.000% *  0.1506% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  19.44 +/- 3.55   0.000% *  0.1153% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.82 +/- 1.69   0.000% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  21.32 +/- 1.53   0.000% *  0.1086% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.72 +/- 1.06   0.000% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  25.10 +/- 2.66   0.000% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  24.31 +/- 1.66   0.000% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.21 +/- 2.52   0.000% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  31.76 +/- 3.12   0.000% *  0.0467% (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 = 0.972, support = 5.02, residual support = 24.1:
          HA    ALA  120 - HN    LEU  123   3.12 +/- 0.27  73.244% * 71.6188% (0.99   5.38  27.07) =  88.017%  kept
          HA    LYS+ 121 - HN    LEU  123   3.81 +/- 0.29  26.539% * 26.9087% (0.84   2.40   2.52) =  11.982%  kept
          QB    SER  117 - HN    LEU  123   8.61 +/- 0.56   0.197% *  0.1307% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.66 +/- 1.47   0.013% *  0.1845% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.29 +/- 1.44   0.005% *  0.2053% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.40 +/- 1.19   0.002% *  0.2409% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.60 +/- 0.88   0.000% *  0.2592% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.43 +/- 1.51   0.000% *  0.2053% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  29.97 +/- 1.68   0.000% *  0.2053% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.79 +/- 1.15   0.000% *  0.0414% (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 = 0.98, support = 5.25, residual support = 37.6:
          HB3   HIS  122 - HN    LEU  123   4.19 +/- 0.43  83.303% * 79.8639% (0.99   5.42  39.33) =  95.252%  kept
          QE    LYS+ 121 - HN    LEU  123   5.91 +/- 0.87  16.690% * 19.8685% (0.76   1.75   2.52) =   4.748%  kept
          HG2   GLN   30 - HN    LEU  123  22.77 +/- 1.74   0.004% *  0.0826% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  28.74 +/- 1.16   0.001% *  0.1447% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  26.15 +/- 2.25   0.002% *  0.0402% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 203.7:
          HG    LEU  123 - HN    LEU  123   3.67 +/- 0.21  94.010% * 96.8025% (0.76   5.82 203.69) =  99.985%  kept
          HG3   PRO   68 - HN    LEU  123  11.04 +/- 2.80   2.187% *  0.3778% (0.87   0.02   0.02) =   0.009%
          HB3   ASP- 105 - HN    LEU  123   9.03 +/- 2.27   0.794% *  0.3329% (0.76   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU  123   7.74 +/- 1.94   2.854% *  0.0862% (0.20   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU  123  12.68 +/- 1.78   0.072% *  0.1953% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.14 +/- 2.47   0.017% *  0.3638% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.17 +/- 2.33   0.016% *  0.2120% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.11 +/- 2.52   0.018% *  0.1486% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.50 +/- 1.62   0.022% *  0.0589% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.44 +/- 1.91   0.004% *  0.2818% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.41 +/- 1.35   0.003% *  0.3329% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.39 +/- 2.02   0.003% *  0.3488% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  28.43 +/- 1.15   0.000% *  0.2466% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  30.11 +/- 1.60   0.000% *  0.2120% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.17 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.17, residual support = 203.7:
      O   HB2   LEU  123 - HN    LEU  123   2.50 +/- 0.31  97.373% * 99.1788% (0.76  10.0   6.17 203.69) =  99.997%  kept
          HB2   LYS+ 121 - HN    LEU  123   4.81 +/- 0.31   2.606% *  0.0942% (0.73   1.0   0.02   2.52) =   0.003%
          QD    LYS+  65 - HN    LEU  123  13.81 +/- 2.05   0.012% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  16.20 +/- 3.21   0.003% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  16.40 +/- 3.03   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.56 +/- 1.60   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.89 +/- 1.24   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.06 +/- 1.47   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.10 +/- 1.25   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.01 +/- 1.06   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  27.44 +/- 2.28   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.888, support = 6.69, residual support = 203.7:
          QD1   LEU  123 - HN    LEU  123   2.72 +/- 0.53  91.391% * 85.1627% (0.90   6.69 203.69) =  98.781%  kept
          QD2   LEU  123 - HN    LEU  123   4.38 +/- 0.14   6.881% * 13.9022% (0.15   6.35 203.69) =   1.214%  kept
          QG1   VAL   70 - HN    LEU  123   8.63 +/- 2.67   1.248% *  0.1949% (0.69   0.02   0.02) =   0.003%
          HB3   LEU  104 - HN    LEU  123   9.43 +/- 2.75   0.339% *  0.2813% (0.99   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU  123  14.41 +/- 2.47   0.030% *  0.2545% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.70 +/- 1.56   0.104% *  0.0438% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.41 +/- 1.36   0.006% *  0.1607% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 39.3:
          HB2   HIS  122 - HN    LEU  123   4.16 +/- 0.52  99.918% * 99.3432% (1.00   5.43  39.33) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.26 +/- 0.84   0.074% *  0.3284% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  21.06 +/- 1.49   0.008% *  0.3284% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.221, support = 7.15, residual support = 44.9:
      O   HA    LYS+ 121 - HN    HIS  122   3.59 +/- 0.05  72.236% * 65.8264% (0.20  10.0   7.35  53.20) =  84.112%  kept
          HA    ALA  120 - HN    HIS  122   4.35 +/- 0.54  26.803% * 33.5092% (0.33   1.0   6.09   0.96) =  15.887%  kept
          QB    SER  117 - HN    HIS  122   7.66 +/- 0.53   0.896% *  0.0290% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.35 +/- 1.63   0.039% *  0.1073% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.02 +/- 1.34   0.011% *  0.1122% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.09 +/- 1.37   0.011% *  0.0752% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  23.91 +/- 0.85   0.001% *  0.0889% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.11 +/- 0.93   0.001% *  0.0397% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.01 +/- 1.25   0.001% *  0.0566% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  27.95 +/- 1.83   0.000% *  0.1122% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  22.54 +/- 2.67   0.002% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  28.64 +/- 1.20   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 = 0.26, support = 4.63, residual support = 12.3:
          HA    ILE  119 - HN    HIS  122   3.70 +/- 0.47  79.957% * 52.8378% (0.27   4.54  14.26) =  81.970%  kept
          HA    THR  118 - HN    HIS  122   4.88 +/- 0.37  20.000% * 46.4657% (0.21   5.03   3.57) =  18.030%  kept
          HD3   PRO   58 - HN    HIS  122  14.53 +/- 1.44   0.029% *  0.0847% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.27 +/- 1.58   0.010% *  0.0940% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  20.67 +/- 1.09   0.003% *  0.1603% (0.19   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.31 +/- 1.34   0.001% *  0.2093% (0.24   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  26.01 +/- 1.71   0.001% *  0.1483% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.89, residual support = 72.7:
      O   HB2   HIS  122 - HN    HIS  122   3.12 +/- 0.59  99.140% * 99.5910% (0.11  10.0   5.89  72.69) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.85 +/- 1.26   0.830% *  0.0565% (0.06   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    HIS  122  13.16 +/- 0.70   0.030% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.14 +/- 1.22   0.000% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.323, support = 6.04, residual support = 72.1:
      O   HB3   HIS  122 - HN    HIS  122   3.11 +/- 0.46  86.862% * 82.5940% (0.33  10.0   6.03  72.69) =  96.924%  kept
          QE    LYS+ 121 - HN    HIS  122   4.84 +/- 0.92  13.137% * 17.3325% (0.21   1.0   6.39  53.20) =   3.076%  kept
          HG2   GLN   30 - HN    HIS  122  21.12 +/- 1.52   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  26.78 +/- 1.13   0.000% *  0.0579% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.326, support = 7.33, residual support = 52.5:
          HB2   LYS+ 121 - HN    HIS  122   2.96 +/- 0.37  86.440% * 72.3521% (0.33   7.45  53.20) =  94.589%  kept
          HB2   LEU  123 - HN    HIS  122   4.48 +/- 0.64  13.476% * 26.5460% (0.17   5.31  39.33) =   5.411%  kept
          QD    LYS+  65 - HN    HIS  122  13.68 +/- 2.11   0.043% *  0.1982% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  14.86 +/- 2.90   0.011% *  0.1491% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  15.76 +/- 2.62   0.006% *  0.2036% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  16.74 +/- 1.57   0.004% *  0.1081% (0.19   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.59 +/- 1.04   0.009% *  0.0360% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.38 +/- 1.26   0.003% *  0.0844% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.36 +/- 1.41   0.003% *  0.0512% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.45 +/- 1.57   0.003% *  0.0317% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  25.22 +/- 2.45   0.000% *  0.2036% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  18.96 +/- 0.97   0.002% *  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 = 0.287, support = 6.58, residual support = 53.2:
          HB3   LYS+ 121 - HN    HIS  122   3.47 +/- 0.75  52.408% * 67.2022% (0.35   6.34  53.20) =  70.239%  kept
          HD2   LYS+ 121 - HN    HIS  122   3.74 +/- 0.97  46.888% * 31.8244% (0.15   7.15  53.20) =  29.759%  kept
          QD    LYS+  66 - HN    HIS  122   8.86 +/- 2.87   0.418% *  0.1733% (0.28   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    HIS  122   9.49 +/- 2.74   0.257% *  0.2121% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  13.84 +/- 1.50   0.010% *  0.1998% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.10 +/- 1.95   0.015% *  0.0738% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  17.90 +/- 1.20   0.002% *  0.1941% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.07 +/- 0.98   0.001% *  0.0602% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.47 +/- 2.95   0.001% *  0.0602% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.32, residual support = 39.3:
          QD1   LEU  123 - HN    HIS  122   3.56 +/- 0.56  92.061% * 98.4891% (0.31   6.32  39.33) =  99.976%  kept
          QG1   VAL   70 - HN    HIS  122   7.99 +/- 2.25   2.518% *  0.3562% (0.35   0.02   0.02) =   0.010%
          HB3   LEU  104 - HN    HIS  122   7.80 +/- 2.57   2.802% *  0.1891% (0.19   0.02   0.02) =   0.006%
          QD1   LEU   71 - HN    HIS  122  13.36 +/- 2.43   1.454% *  0.3117% (0.31   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    HIS  122   8.32 +/- 1.43   1.085% *  0.2325% (0.23   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    HIS  122  14.13 +/- 1.32   0.040% *  0.3586% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  13.77 +/- 1.66   0.041% *  0.0629% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.541, support = 2.7, residual support = 5.71:
          HA    THR  118 - HN    LYS+ 121   3.41 +/- 0.18  70.421% * 35.2839% (0.49   2.28   7.80) =  56.958%  kept
          HA    ILE  119 - HN    LYS+ 121   3.97 +/- 0.18  29.546% * 63.5497% (0.61   3.26   2.95) =  43.041%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.32 +/- 1.38   0.018% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.11 +/- 1.74   0.013% *  0.1575% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.88 +/- 0.94   0.001% *  0.2684% (0.42   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  27.12 +/- 1.57   0.000% *  0.3504% (0.55   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  26.28 +/- 1.75   0.000% *  0.2483% (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 = 6.82, residual support = 316.4:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.19 +/- 0.20  98.638% * 99.3852% (0.76  10.0   6.82 316.40) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.76 +/- 0.64   1.352% *  0.0511% (0.39   1.0   0.02   2.52) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  15.03 +/- 1.97   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  15.52 +/- 2.56   0.002% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  16.23 +/- 2.02   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  17.64 +/- 2.17   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.49 +/- 1.29   0.001% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.74 +/- 0.96   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.55 +/- 1.48   0.001% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.74 +/- 1.18   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.46 +/- 1.00   0.000% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.91 +/- 2.45   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 = 0.549, support = 5.48, residual support = 246.5:
          HD2   LYS+ 121 - HN    LYS+ 121   3.22 +/- 0.85  41.252% * 82.1493% (0.64   6.04 316.40) =  77.799%  kept
          QB    ALA  120 - HN    LYS+ 121   2.89 +/- 0.08  58.592% * 16.5043% (0.22   3.50   1.62) =  22.200%  kept
          QD    LYS+  66 - HN    LYS+ 121  10.20 +/- 2.84   0.089% *  0.1396% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   9.48 +/- 0.60   0.050% *  0.0944% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.34 +/- 1.91   0.011% *  0.1653% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.71 +/- 1.82   0.004% *  0.2946% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.91 +/- 0.89   0.001% *  0.3389% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.69 +/- 0.77   0.000% *  0.3135% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.86, residual support = 316.4:
          HG2   LYS+ 121 - HN    LYS+ 121   4.02 +/- 0.34  92.338% * 99.0682% (0.77   5.86 316.40) =  99.990%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.46 +/- 0.46   1.284% *  0.3475% (0.79   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    LYS+ 121   6.40 +/- 0.25   6.297% *  0.0694% (0.16   0.02   2.95) =   0.005%
          HG13  ILE  103 - HN    LYS+ 121  13.76 +/- 1.81   0.070% *  0.2268% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.30 +/- 0.94   0.006% *  0.2268% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  21.41 +/- 2.16   0.005% *  0.0614% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.17 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 2.19, residual support = 2.52:
          QD1   LEU  123 - HN    LYS+ 121   4.44 +/- 0.09  84.817% * 90.0532% (0.72   2.20   2.52) =  99.076%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.42 +/- 0.27   9.710% *  6.9427% (0.12   0.99   2.52) =   0.874%  kept
          HB3   LEU  104 - HN    LYS+ 121   8.62 +/- 2.03   2.976% *  0.9036% (0.79   0.02   0.02) =   0.035%
          QG1   VAL   70 - HN    LYS+ 121  10.13 +/- 1.83   0.987% *  0.6262% (0.55   0.02   0.02) =   0.008%
          QD1   LEU   71 - HN    LYS+ 121  15.32 +/- 2.64   0.448% *  0.8176% (0.72   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    LYS+ 121   9.89 +/- 1.35   1.008% *  0.1407% (0.12   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LYS+ 121  15.59 +/- 1.24   0.053% *  0.5161% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.22 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 54.9:
          HB    ILE  119 - HN    ALA  120   2.66 +/- 0.18  99.951% * 97.4736% (0.90   5.03  54.86) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.39 +/- 1.25   0.022% *  0.1221% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  15.37 +/- 2.47   0.010% *  0.2400% (0.56   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.17 +/- 1.59   0.006% *  0.3305% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  14.25 +/- 2.17   0.007% *  0.1774% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.04 +/- 1.26   0.001% *  0.3024% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  20.80 +/- 2.21   0.001% *  0.3948% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.14 +/- 1.48   0.000% *  0.3878% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.64 +/- 1.17   0.001% *  0.0987% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.62 +/- 1.46   0.000% *  0.3743% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.64 +/- 1.14   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 = 4.01, residual support = 13.9:
      O   QB    ALA  120 - HN    ALA  120   2.09 +/- 0.08  98.972% * 99.1734% (0.49  10.0   4.01  13.89) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.22 +/- 1.11   0.940% *  0.0992% (0.49   1.0   0.02   1.62) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.85 +/- 0.95   0.051% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.75 +/- 2.62   0.029% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  13.94 +/- 1.82   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.36 +/- 2.86   0.006% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.96 +/- 1.70   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.93 +/- 0.86   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.33 +/- 0.72   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 54.9:
          QG2   ILE  119 - HN    ALA  120   3.15 +/- 0.26  99.531% * 96.6193% (0.49   5.63  54.86) =  99.997%  kept
          QD1   LEU   67 - HN    ALA  120   9.86 +/- 2.86   0.320% *  0.5220% (0.74   0.02   0.02) =   0.002%
          QD2   LEU   40 - HN    ALA  120  10.90 +/- 1.45   0.074% *  0.4982% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  11.95 +/- 1.13   0.040% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  15.96 +/- 2.11   0.016% *  0.5445% (0.77   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.10 +/- 1.33   0.015% *  0.4734% (0.67   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  20.17 +/- 1.30   0.002% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.19 +/- 1.37   0.002% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 15.1:
      O   QB    SER  117 - HN    SER  117   2.16 +/- 0.12  99.898% * 97.2780% (0.25  10.0   2.79  15.13) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.54 +/- 0.42   0.062% *  0.3690% (0.95   1.0   0.02   5.54) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.36 +/- 0.73   0.038% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.58 +/- 1.02   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.60 +/- 1.17   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.92 +/- 1.18   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.65 +/- 1.37   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.70 +/- 1.15   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.85 +/- 0.86   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  26.63 +/- 1.94   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  26.05 +/- 1.86   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.94 +/- 1.34   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.371, support = 5.49, residual support = 27.9:
          HG3   GLN  116 - HN    SER  117   5.11 +/- 0.39  38.955% * 69.2302% (0.49   5.37  27.87) =  59.987%  kept
          HG2   GLN  116 - HN    SER  117   4.74 +/- 0.63  60.325% * 29.8179% (0.20   5.68  27.87) =  40.011%  kept
          HB3   PHE   95 - HN    SER  117  10.11 +/- 0.71   0.713% *  0.1322% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  22.65 +/- 2.53   0.007% *  0.3001% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  30.83 +/- 1.25   0.001% *  0.5196% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.32 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 27.9:
          HB2   GLN  116 - HN    SER  117   3.14 +/- 0.34  99.909% * 98.7788% (0.97   4.91  27.87) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.53 +/- 1.09   0.039% *  0.4166% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.27 +/- 1.67   0.051% *  0.3025% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.27 +/- 1.28   0.001% *  0.3736% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  24.66 +/- 1.52   0.001% *  0.1286% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.39, residual support = 123.7:
          HG2   GLN  116 - HN    GLN  116   3.19 +/- 0.52  99.837% * 99.4341% (0.73   7.39 123.66) = 100.000%  kept
          HB3   PHE   95 - HN    GLN  116   9.77 +/- 0.52   0.163% *  0.2968% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    GLN  116  30.41 +/- 1.16   0.000% *  0.2691% (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 = 7.64, residual support = 123.7:
      O   HB2   GLN  116 - HN    GLN  116   2.15 +/- 0.13  99.982% * 99.6757% (0.98  10.0   7.64 123.66) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.12 +/- 1.64   0.016% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.60 +/- 0.90   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.68 +/- 1.08   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.43 +/- 1.55   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.18 +/- 1.33   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 = 0.794, support = 7.37, residual support = 96.4:
          HB2   LEU  115 - HN    GLN  116   3.46 +/- 0.39  83.983% * 67.7172% (0.80   7.57 102.24) =  94.298%  kept
          QB    GLU- 114 - HN    GLN  116   5.02 +/- 0.27  10.944% * 31.4039% (0.69   4.09   0.37) =   5.699%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.01 +/- 0.83   4.867% *  0.0345% (0.15   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    GLN  116  10.40 +/- 1.35   0.170% *  0.1866% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLN  116  18.46 +/- 2.75   0.012% *  0.1866% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.32 +/- 1.13   0.015% *  0.0918% (0.41   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  22.00 +/- 0.84   0.002% *  0.1707% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  18.42 +/- 1.28   0.004% *  0.0442% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.47 +/- 0.99   0.002% *  0.0442% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  21.85 +/- 1.16   0.002% *  0.0442% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  29.84 +/- 1.23   0.000% *  0.0762% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 8.45, residual support = 102.2:
          HG    LEU  115 - HN    GLN  116   2.74 +/- 1.12  80.225% * 43.0150% (0.73   8.51 102.24) =  76.892%  kept
          HB3   LEU  115 - HN    GLN  116   3.97 +/- 0.24  18.423% * 56.2831% (0.98   8.25 102.24) =  23.105%  kept
          QB    ALA  120 - HN    GLN  116   6.47 +/- 0.74   1.302% *  0.1010% (0.73   0.02   0.28) =   0.003%
          QG    LYS+  66 - HN    GLN  116  11.85 +/- 2.10   0.031% *  0.0522% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.88 +/- 2.37   0.006% *  0.1391% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.52 +/- 1.19   0.004% *  0.1364% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  17.53 +/- 1.10   0.003% *  0.0677% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.50 +/- 1.03   0.002% *  0.0788% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.00 +/- 1.16   0.004% *  0.0310% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.05 +/- 2.04   0.001% *  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 = 102.2:
          QD1   LEU  115 - HN    GLN  116   3.62 +/- 0.69  99.984% * 99.6305% (0.49   7.61 102.24) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.47 +/- 1.07   0.016% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 102.2:
          QD2   LEU  115 - HN    GLN  116   2.49 +/- 0.33  99.584% * 98.5891% (0.57  10.00 102.24) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.61 +/- 1.32   0.271% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   8.40 +/- 1.26   0.134% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  13.36 +/- 0.91   0.005% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.48 +/- 0.95   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.64 +/- 0.83   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.11 +/- 1.05   0.002% *  0.0537% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  21.60 +/- 3.12   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  23.05 +/- 2.92   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 = 0.718, support = 1.45, residual support = 14.0:
          QD1   ILE  119 - HN    GLN  116   4.90 +/- 0.55  77.192% * 89.3131% (0.73   1.48  14.34) =  97.768%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.39 +/- 0.89  20.780% *  7.4132% (0.38   0.24   0.02) =   2.185%  kept
          QG2   VAL  108 - HN    GLN  116   9.69 +/- 0.90   1.851% *  1.6660% (1.00   0.02   0.02) =   0.044%
          HB2   LEU  104 - HN    GLN  116  13.96 +/- 0.94   0.177% *  1.6078% (0.97   0.02   0.02) =   0.004%
    Distance limit 4.82 A violated in 0 structures by 0.11 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.22:
          HA    LYS+ 112 - HN    LEU  115   3.58 +/- 0.40  99.918% * 94.6610% (0.90   0.75   2.22) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  13.02 +/- 0.70   0.064% *  2.8147% (1.00   0.02   0.02) =   0.002%
          HB    THR   46 - HN    LEU  115  15.71 +/- 1.19   0.018% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 102.2:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.13  98.798% * 95.8049% (0.22   5.22 102.24) =  99.987%  kept
          HB2   PRO   58 - HN    LEU  115  11.22 +/- 1.43   0.714% *  1.3196% (0.80   0.02   0.02) =   0.010%
          HG2   PRO   52 - HN    LEU  115  12.86 +/- 1.41   0.274% *  0.7388% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  13.23 +/- 0.96   0.201% *  0.5621% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  23.27 +/- 1.16   0.006% *  0.2543% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.54 +/- 1.12   0.006% *  0.2543% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  30.00 +/- 1.33   0.001% *  1.0660% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.34 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.795, support = 7.23, residual support = 216.6:
      O   HB2   LEU  115 - HN    LEU  115   2.32 +/- 0.40  71.458% * 82.5125% (0.80  10.0   7.37 228.22) =  94.554%  kept
          QB    GLU- 114 - HN    LEU  115   3.00 +/- 0.39  19.874% * 17.0820% (0.69   1.0   4.83  15.18) =   5.444%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.79 +/- 1.18   8.660% *  0.0159% (0.15   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU  115  11.12 +/- 1.23   0.007% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.75 +/- 2.81   0.000% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.28 +/- 1.15   0.001% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.82 +/- 0.98   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.47 +/- 1.14   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.19 +/- 0.91   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.26 +/- 0.91   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  28.54 +/- 1.29   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.917, support = 7.49, residual support = 228.2:
      O   HB3   LEU  115 - HN    LEU  115   3.21 +/- 0.44  45.478% * 77.8614% (0.98  10.0   7.48 228.22) =  74.986%  kept
          HG    LEU  115 - HN    LEU  115   3.22 +/- 0.74  54.337% * 21.7379% (0.73   1.0   7.54 228.22) =  25.014%  kept
          QB    ALA  120 - HN    LEU  115   8.22 +/- 0.58   0.164% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  13.39 +/- 2.21   0.011% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.92 +/- 2.18   0.002% *  0.0794% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.68 +/- 1.16   0.002% *  0.0779% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.85 +/- 1.14   0.001% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  18.91 +/- 1.21   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.93 +/- 1.09   0.002% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.56 +/- 2.14   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.528, support = 1.81, residual support = 8.47:
          QG2   VAL  107 - HN    LEU  115   3.59 +/- 0.52  90.956% * 63.7184% (0.53   1.82   8.46) =  98.730%  kept
          HG13  ILE  119 - HN    LEU  115   7.33 +/- 1.01   2.240% * 32.6211% (0.73   0.68   8.89) =   1.245%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.56 +/- 1.08   6.675% *  0.2048% (0.15   0.02   2.22) =   0.023%
          HG2   LYS+ 121 - HN    LEU  115  11.89 +/- 1.30   0.105% *  1.0145% (0.76   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    LEU  115  19.88 +/- 1.09   0.004% *  1.3245% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.40 +/- 1.28   0.019% *  0.2048% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.93 +/- 1.35   0.001% *  0.9118% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.11 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   3.70 +/- 0.60  98.081% * 98.8217% (0.65   9.04 228.22) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   7.91 +/- 1.46   1.777% *  0.1043% (0.31   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU  115  13.52 +/- 0.98   0.058% *  0.3029% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  14.30 +/- 1.81   0.053% *  0.1152% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  18.87 +/- 2.30   0.009% *  0.3195% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  20.39 +/- 3.14   0.007% *  0.2320% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  16.84 +/- 0.98   0.014% *  0.1043% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 228.2:
          QD1   LEU  115 - HN    LEU  115   3.51 +/- 0.55  99.978% * 99.6808% (0.80   7.38 228.22) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.19 +/- 1.05   0.022% *  0.3192% (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 = 6.75, residual support = 135.7:
      O   HB    ILE  103 - HN    ILE  103   2.10 +/- 0.05  90.287% * 65.0192% (0.53  10.0   6.74 135.69) =  94.666%  kept
          HG12  ILE  103 - HN    ILE  103   3.11 +/- 0.27   9.653% * 34.2617% (0.80   1.0   6.92 135.69) =   5.334%  kept
          HB    VAL   41 - HN    ILE  103   9.66 +/- 1.34   0.014% *  0.0799% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.06 +/- 0.32   0.014% *  0.0554% (0.45   1.0   0.02   3.89) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.04 +/- 0.60   0.031% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.26 +/- 0.85   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.04 +/- 2.48   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.87 +/- 2.90   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  18.06 +/- 1.79   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  23.96 +/- 1.37   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.32 +/- 0.86   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  24.89 +/- 2.72   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.82 +/- 1.45   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  25.67 +/- 1.39   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.1, residual support = 135.7:
          HG13  ILE  103 - HN    ILE  103   4.04 +/- 0.33  99.397% * 98.5150% (0.65   6.10 135.69) =  99.998%  kept
          HG2   LYS+ 121 - HN    ILE  103  12.71 +/- 2.77   0.166% *  0.4815% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  12.97 +/- 0.61   0.104% *  0.4945% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  103  11.16 +/- 1.38   0.310% *  0.0874% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.42 +/- 0.87   0.009% *  0.3228% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.87 +/- 1.22   0.015% *  0.0987% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.18 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.872, support = 6.11, residual support = 135.7:
          QG2   ILE  103 - HN    ILE  103   3.47 +/- 0.10  57.165% * 70.2666% (1.00   6.23 135.69) =  76.863%  kept
          QD1   ILE  103 - HN    ILE  103   3.68 +/- 0.42  41.992% * 28.7904% (0.45   5.69 135.69) =  23.134%  kept
          QD2   LEU   40 - HN    ILE  103   7.21 +/- 0.45   0.792% *  0.2177% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  14.02 +/- 1.97   0.018% *  0.2211% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.48 +/- 1.39   0.019% *  0.1277% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.67 +/- 1.34   0.008% *  0.0627% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.94 +/- 1.33   0.005% *  0.0927% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.43 +/- 0.84   0.001% *  0.2211% (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 = 7.42, residual support = 220.7:
          HG    LEU  104 - HN    LEU  104   2.80 +/- 0.38  98.919% * 97.6158% (0.45   7.42 220.68) =  99.996%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.79 +/- 0.41   0.682% *  0.4030% (0.69   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - HN    LEU  104   8.58 +/- 2.52   0.388% *  0.2631% (0.45   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LEU  104  15.56 +/- 2.40   0.006% *  0.3322% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  17.08 +/- 1.70   0.002% *  0.5816% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.26 +/- 0.93   0.002% *  0.3559% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  24.70 +/- 2.08   0.000% *  0.4484% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.252, support = 7.13, residual support = 175.5:
      O   HB2   LEU  104 - HN    LEU  104   2.60 +/- 0.30  58.519% * 66.7208% (0.22  10.0   7.38 220.68) =  75.388%  kept
          QG2   ILE  103 - HN    LEU  104   2.79 +/- 0.28  39.234% * 32.4813% (0.34   1.0   6.35  36.96) =  24.606%  kept
          QD2   LEU   40 - HN    LEU  104   4.59 +/- 0.61   2.215% *  0.1459% (0.49   1.0   0.02   0.02) =   0.006%
          QD1   LEU   67 - HN    LEU  104  10.81 +/- 2.12   0.021% *  0.1344% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  11.74 +/- 1.60   0.008% *  0.1459% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.50 +/- 1.07   0.001% *  0.2970% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.95 +/- 0.58   0.000% *  0.0747% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.794, support = 7.75, residual support = 208.3:
          QD2   LEU  104 - HN    LEU  104   2.87 +/- 0.60  89.256% * 66.0188% (0.80   7.94 220.68) =  94.214%  kept
          QD1   LEU   98 - HN    LEU  104   4.43 +/- 0.51  10.726% * 33.7365% (0.69   4.73   6.58) =   5.786%  kept
          QD1   ILE   19 - HN    LEU  104  15.44 +/- 1.18   0.005% *  0.1344% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.38 +/- 0.87   0.009% *  0.0462% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  16.68 +/- 0.72   0.003% *  0.0641% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.684, support = 7.55, residual support = 56.6:
          HB2   PHE   97 - HN    ASP- 105   2.22 +/- 0.49  97.035% * 80.0224% (0.69   7.57  56.87) =  99.317%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.38 +/- 1.11   2.791% * 19.1105% (0.25   4.98  21.80) =   0.682%  kept
          QE    LYS+  99 - HN    ASP- 105   7.98 +/- 0.73   0.112% *  0.2761% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   8.54 +/- 0.68   0.056% *  0.1266% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  14.77 +/- 1.50   0.003% *  0.1992% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.00 +/- 1.00   0.001% *  0.2236% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.47 +/- 1.21   0.002% *  0.0417% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.42, residual support = 56.9:
          HB3   PHE   97 - HN    ASP- 105   2.88 +/- 0.73  99.919% * 98.6720% (0.90   5.42  56.87) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.52 +/- 0.88   0.060% *  0.4058% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.36 +/- 0.72   0.012% *  0.3977% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  17.39 +/- 1.44   0.005% *  0.1128% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.69 +/- 1.40   0.003% *  0.1819% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.35 +/- 1.43   0.001% *  0.2297% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.75, residual support = 42.6:
      O   HB2   ASP- 105 - HN    ASP- 105   3.63 +/- 0.32  99.595% * 99.3924% (0.80  10.0   4.75  42.57) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.79 +/- 1.29   0.206% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.72 +/- 0.90   0.070% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.67 +/- 0.59   0.061% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.92 +/- 0.83   0.039% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  17.96 +/- 1.29   0.009% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  20.76 +/- 1.06   0.003% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.54 +/- 0.76   0.003% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.42 +/- 1.63   0.011% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  21.02 +/- 0.71   0.003% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  22.54 +/- 1.85   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.769, support = 4.65, residual support = 42.1:
      O   HB3   ASP- 105 - HN    ASP- 105   3.11 +/- 0.34  88.853% * 76.9952% (0.76  10.0   4.66  42.57) =  97.664%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.91 +/- 0.21   7.345% * 22.2458% (0.98   1.0   4.51  21.80) =   2.332%  kept
          HB    ILE  103 - HN    ASP- 105   5.51 +/- 0.34   3.736% *  0.0692% (0.69   1.0   0.02   3.89) =   0.004%
          HG3   PRO   68 - HN    ASP- 105  16.15 +/- 3.27   0.030% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  14.66 +/- 1.06   0.010% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  15.46 +/- 1.13   0.007% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.44 +/- 0.72   0.005% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  15.87 +/- 1.16   0.006% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  16.82 +/- 0.59   0.004% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  23.23 +/- 0.63   0.001% *  0.0930% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  24.35 +/- 2.09   0.001% *  0.0972% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.96 +/- 1.04   0.001% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.58 +/- 1.23   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.497, support = 6.03, residual support = 37.0:
          HG    LEU  104 - HN    ASP- 105   4.32 +/- 0.39  71.708% * 51.5119% (0.45   6.57  40.93) =  79.578%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.47 +/- 0.40  20.010% * 47.3064% (0.69   3.94  21.80) =  20.393%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.23 +/- 2.40   8.113% *  0.1569% (0.45   0.02   0.02) =   0.027%
          HB3   LYS+ 111 - HN    ASP- 105  13.41 +/- 2.44   0.133% *  0.1981% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    ASP- 105  18.51 +/- 1.72   0.014% *  0.3469% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.58 +/- 0.94   0.019% *  0.2123% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  24.29 +/- 1.93   0.003% *  0.2675% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.268, support = 5.04, residual support = 26.7:
          HB2   LEU  104 - HN    ASP- 105   2.75 +/- 0.33  49.815% * 59.9251% (0.22   6.50  40.93) =  61.654%  kept
          QG2   ILE  103 - HN    ASP- 105   2.77 +/- 0.40  49.012% * 37.8709% (0.34   2.68   3.89) =  38.336%  kept
          QD2   LEU   40 - HN    ASP- 105   5.30 +/- 0.66   1.117% *  0.4029% (0.49   0.02   0.02) =   0.009%
          QD1   ILE  119 - HN    ASP- 105  10.31 +/- 1.58   0.028% *  0.4029% (0.49   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    ASP- 105  10.57 +/- 2.18   0.027% *  0.3711% (0.45   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.19 +/- 1.01   0.002% *  0.8205% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.44 +/- 0.54   0.000% *  0.2064% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.81, residual support = 21.8:
          HB2   ASP- 105 - HN    LYS+ 106   2.66 +/- 0.38  98.830% * 97.8178% (0.98   3.82  21.80) =  99.998%  kept
          HB2   MET   96 - HN    LYS+ 106   8.19 +/- 1.03   1.090% *  0.1615% (0.31   0.02   2.12) =   0.002%
          HG12  ILE  119 - HN    LYS+ 106   9.34 +/- 1.03   0.072% *  0.2151% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.13 +/- 1.30   0.004% *  0.4692% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.99 +/- 0.90   0.002% *  0.3998% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.24 +/- 0.83   0.001% *  0.4370% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.29 +/- 1.14   0.000% *  0.4189% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  19.11 +/- 0.74   0.001% *  0.0807% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.963, support = 5.27, residual support = 126.5:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.24 +/- 0.20  62.702% * 86.3787% (0.98  10.0   5.40 135.77) =  91.882%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.61 +/- 0.50  36.928% * 12.9574% (0.76   1.0   3.85  21.80) =   8.117%  kept
          HB    ILE  103 - HN    LYS+ 106   7.91 +/- 0.45   0.322% *  0.0605% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  12.80 +/- 1.00   0.021% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  18.32 +/- 3.15   0.007% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.08 +/- 0.77   0.010% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  18.79 +/- 1.04   0.002% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.49 +/- 0.92   0.001% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.53 +/- 1.19   0.002% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  20.92 +/- 0.71   0.001% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.74 +/- 1.19   0.001% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.05 +/- 1.05   0.002% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  23.67 +/- 1.90   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 = 2.79, residual support = 3.3:
          QG2   THR  118 - HN    LYS+ 106   4.83 +/- 1.54 100.000% *100.0000% (0.53   2.79   3.30) = 100.000%  kept
    Distance limit 4.64 A violated in 3 structures by 0.66 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.8:
          HB2   PHE   95 - HN    VAL  107   2.50 +/- 0.66 100.000% *100.0000% (1.00   2.31  45.81) = 100.000%  kept
    Distance limit 4.37 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   2.41 +/- 0.37  99.949% * 99.7350% (0.99  10.0   3.33  58.23) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.61 +/- 0.89   0.031% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.97 +/- 1.23   0.018% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.26 +/- 1.34   0.001% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.52 +/- 1.18   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  22.82 +/- 1.08   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.14, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.18 +/- 0.22  97.490% * 95.3425% (0.53   5.14  26.83) =  99.994%  kept
          HB3   ASP- 105 - HN    VAL  107   6.25 +/- 0.56   2.089% *  0.1759% (0.25   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    VAL  107   9.58 +/- 1.20   0.197% *  0.6513% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  10.83 +/- 0.85   0.074% *  0.6327% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107  10.20 +/- 0.81   0.111% *  0.1396% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.20 +/- 1.12   0.010% *  0.5123% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.16 +/- 0.80   0.004% *  0.6916% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  19.74 +/- 0.91   0.002% *  0.6993% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.88 +/- 2.58   0.010% *  0.1236% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  17.66 +/- 0.73   0.004% *  0.2901% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.08 +/- 1.23   0.005% *  0.1571% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.87 +/- 0.64   0.002% *  0.2407% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  20.96 +/- 1.61   0.001% *  0.3434% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 58.2:
          QG1   VAL  107 - HN    VAL  107   3.04 +/- 0.40  99.657% * 90.6148% (0.20   3.84  58.23) =  99.994%  kept
          HG13  ILE  119 - HN    VAL  107   9.15 +/- 1.07   0.184% *  2.3621% (0.99   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - HN    VAL  107  10.61 +/- 1.82   0.111% *  0.5942% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  107  13.09 +/- 1.01   0.021% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  13.80 +/- 1.67   0.017% *  1.1600% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.76 +/- 1.03   0.005% *  2.3779% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.38 +/- 0.73   0.005% *  1.4455% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.71 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   2.78 +/- 0.48  99.469% * 99.4150% (0.95  10.0   4.08  62.12) =  99.999%  kept
          HB2   PRO   93 - HN    VAL  108   8.20 +/- 2.01   0.457% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  11.31 +/- 1.08   0.038% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.55 +/- 1.44   0.003% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.83 +/- 1.63   0.017% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  13.94 +/- 1.30   0.012% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.83 +/- 1.46   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.49 +/- 0.66   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.50 +/- 1.58   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  22.03 +/- 2.38   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.41 +/- 2.54   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.70 +/- 2.29   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.50 +/- 0.17  99.572% * 92.9874% (0.28   3.64  15.34) =  99.995%  kept
          HG13  ILE  119 - HN    VAL  108  11.01 +/- 0.99   0.127% *  1.7394% (0.95   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    VAL  108  12.56 +/- 2.09   0.176% *  0.8950% (0.49   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    VAL  108  11.56 +/- 1.18   0.098% *  0.6272% (0.34   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  108  18.60 +/- 1.51   0.006% *  1.5950% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  15.46 +/- 1.92   0.018% *  0.4585% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  19.87 +/- 1.32   0.004% *  1.6974% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 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   4.00 +/- 0.23  99.329% * 95.2124% (0.25   4.10  15.34) =  99.990%  kept
          HG    LEU   63 - HN    VAL  108  11.90 +/- 1.53   0.254% *  1.7967% (0.97   0.02   0.02) =   0.005%
          HG3   LYS+ 112 - HN    VAL  108  10.72 +/- 1.47   0.388% *  1.1292% (0.61   0.02   0.02) =   0.005%
          QG2   VAL   24 - HN    VAL  108  16.16 +/- 1.36   0.029% *  1.8617% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 1 structures by 0.53 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   2.19 +/- 0.01  99.998% * 99.6957% (0.69  10.0   4.64  27.64) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.20 +/- 1.00   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.93 +/- 1.01   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.37 +/- 1.23   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 = 36.4:
      O   HB2   ASP-  76 - HN    ASP-  76   2.73 +/- 0.57  99.405% * 99.7699% (1.00  10.0   3.74  36.44) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.14 +/- 0.83   0.576% *  0.0724% (0.73   1.0   0.02   2.95) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  12.90 +/- 0.97   0.014% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.35 +/- 1.40   0.004% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.71 +/- 0.63   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.13 +/- 1.10   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.76, residual support = 36.4:
      O   HB3   ASP-  76 - HN    ASP-  76   2.78 +/- 0.55  99.712% * 97.9021% (0.28  10.0   3.76  36.44) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.53 +/- 0.41   0.199% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  11.74 +/- 1.33   0.033% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.16 +/- 0.56   0.022% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  13.63 +/- 1.48   0.014% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.88 +/- 0.73   0.012% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.41 +/- 1.00   0.001% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  18.40 +/- 1.63   0.003% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.44 +/- 1.23   0.003% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  20.04 +/- 0.92   0.001% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.94 +/- 0.90   0.000% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.6:
          QG1   VAL   75 - HN    ASP-  76   3.16 +/- 0.22  99.992% * 99.7156% (0.69   4.97  27.64) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.63 +/- 1.40   0.008% *  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   3.94 +/- 0.37  99.822% * 99.6074% (0.98   4.64  27.64) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  12.06 +/- 1.16   0.178% *  0.3926% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.21:
      O   HA2   GLY  109 - HN    GLY  109   2.44 +/- 0.22  99.952% * 99.3336% (0.43  10.0   2.20   9.21) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.12 +/- 1.55   0.027% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.54 +/- 1.41   0.010% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.67 +/- 3.38   0.006% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  14.68 +/- 2.31   0.004% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.70 +/- 1.41   0.002% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 0.0503, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   6.26 +/- 1.41  85.746% * 14.4384% (0.70   0.02   0.02) =  78.251%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.77 +/- 1.96   7.931% * 32.2364% (0.15   0.21   0.02) =  16.159%  kept
          HG12  ILE   89 - HN    GLY  109  12.35 +/- 2.97   5.226% * 15.0946% (0.73   0.02   0.02) =   4.986%  kept
          HG2   LYS+  74 - HN    GLY  109  15.10 +/- 1.85   0.777% *  9.4867% (0.46   0.02   0.02) =   0.466%
          HG    LEU   71 - HN    GLY  109  22.07 +/- 2.30   0.071% * 10.1182% (0.49   0.02   0.02) =   0.046%
          HG3   LYS+  99 - HN    GLY  109  21.78 +/- 0.99   0.074% *  8.8552% (0.43   0.02   0.02) =   0.041%
          HB3   LEU   71 - HN    GLY  109  20.88 +/- 2.47   0.112% *  3.9001% (0.19   0.02   0.02) =   0.028%
          HG13  ILE   19 - HN    GLY  109  22.69 +/- 1.96   0.064% *  5.8702% (0.28   0.02   0.02) =   0.024%
    Distance limit 4.57 A violated in 14 structures by 1.46 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.62:
          QG1   VAL  108 - HN    GLY  109   2.45 +/- 0.29  99.922% * 98.9381% (0.65   3.09   7.62) = 100.000%  kept
          HB3   LEU   63 - HN    GLY  109  14.35 +/- 2.31   0.069% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    GLY  109  14.39 +/- 1.25   0.006% *  0.5069% (0.52   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  17.31 +/- 2.08   0.003% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   2.98 +/- 0.26  99.922% * 99.3336% (0.57  10.0   2.20   6.40) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.18 +/- 1.14   0.031% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.11 +/- 1.13   0.018% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  15.20 +/- 3.17   0.017% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  15.83 +/- 2.02   0.006% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.50 +/- 1.86   0.005% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.242, support = 0.729, residual support = 5.02:
          HG2   PRO   93 - HN    ALA  110   4.75 +/- 2.29  76.204% * 54.6666% (0.22   0.75   5.17) =  97.116%  kept
          HB3   PRO   52 - HN    ALA  110   6.68 +/- 2.18  17.511% *  6.4182% (0.98   0.02   0.02) =   2.620%  kept
          QB    LYS+ 106 - HN    ALA  110   8.78 +/- 0.89   4.659% *  1.2958% (0.20   0.02   0.02) =   0.141%
          HG2   ARG+  54 - HN    ALA  110  12.59 +/- 2.69   0.531% *  3.1872% (0.49   0.02   0.02) =   0.039%
          HB3   ASP- 105 - HN    ALA  110  13.43 +/- 1.13   0.375% *  2.9356% (0.45   0.02   0.02) =   0.026%
          HG    LEU  123 - HN    ALA  110  17.63 +/- 1.31   0.106% *  6.4182% (0.98   0.02   0.02) =   0.016%
          HG12  ILE  103 - HN    ALA  110  16.92 +/- 1.09   0.090% *  5.2431% (0.80   0.02   0.02) =   0.011%
          HB3   GLN   90 - HN    ALA  110  13.49 +/- 1.85   0.248% *  1.8205% (0.28   0.02   0.02) =   0.011%
          HB    ILE  103 - HN    ALA  110  17.26 +/- 1.18   0.100% *  3.4450% (0.53   0.02   0.02) =   0.008%
          QB    LYS+  66 - HN    ALA  110  16.16 +/- 2.27   0.099% *  2.9356% (0.45   0.02   0.02) =   0.007%
          HB    VAL   41 - HN    ALA  110  19.26 +/- 1.42   0.033% *  4.2358% (0.65   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA  110  23.11 +/- 2.34   0.014% *  3.7071% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA  110  19.85 +/- 1.84   0.024% *  1.4578% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA  110  24.36 +/- 1.41   0.007% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 3 structures by 0.59 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   2.67 +/- 0.21  99.427% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   6.92 +/- 1.29   0.553% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.88 +/- 2.12   0.012% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.86 +/- 2.48   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.08 +/- 1.76   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.65 +/- 2.09   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  18.69 +/- 1.66   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  21.24 +/- 3.11   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.90 +/- 1.71   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.87 +/- 2.86   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.26 +/- 2.95   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.13 +/- 2.48   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 = 7.06, residual support = 314.9:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.39 +/- 0.36  73.705% * 99.3619% (1.00  10.0   7.06 314.94) =  99.981%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.36 +/- 0.82  26.208% *  0.0524% (0.53   1.0   0.02   0.17) =   0.019%
          HB    ILE  119 - HN    LYS+ 111  11.04 +/- 0.94   0.080% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.45 +/- 2.50   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  23.43 +/- 1.99   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.75 +/- 2.79   0.002% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  24.05 +/- 1.55   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.52 +/- 1.70   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  27.34 +/- 1.89   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.71 +/- 1.69   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.21 +/- 1.59   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.00 +/- 1.64   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 314.9:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.56 +/- 0.53  99.975% * 99.4649% (0.92  10.0   5.49 314.94) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  14.07 +/- 0.92   0.006% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  16.50 +/- 1.78   0.005% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.46 +/- 1.86   0.008% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  17.22 +/- 2.62   0.003% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.02 +/- 1.65   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.19 +/- 1.92   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.86 +/- 1.47   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.26 +/- 2.41   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 314.9:
          HG3   LYS+ 111 - HN    LYS+ 111   3.37 +/- 0.46  96.681% * 98.8209% (0.92   6.55 314.94) =  99.998%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.45 +/- 1.33   3.286% *  0.0647% (0.20   0.02  28.51) =   0.002%
          HG12  ILE   89 - HN    LYS+ 111  16.04 +/- 2.47   0.015% *  0.3154% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.97 +/- 1.87   0.010% *  0.1983% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.37 +/- 2.73   0.002% *  0.2115% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.58 +/- 1.84   0.001% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.14 +/- 2.74   0.003% *  0.0815% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  24.19 +/- 1.95   0.001% *  0.1227% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.16 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.98, residual support = 1.97:
          QD1   ILE   56 - HN    LYS+ 111   5.53 +/- 2.23  96.212% * 97.2511% (0.76   1.98   1.98) =  99.964%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.38 +/- 1.49   2.015% *  1.2431% (0.97   0.02   0.02) =   0.027%
          QD2   LEU  123 - HN    LYS+ 111  14.84 +/- 0.71   1.247% *  0.4394% (0.34   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    LYS+ 111  16.46 +/- 1.57   0.455% *  0.6270% (0.49   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+ 111  22.59 +/- 1.32   0.071% *  0.4394% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 11 structures by 1.78 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.72, residual support = 231.7:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.79 +/- 0.06  99.995% * 99.8622% (0.87  10.0   5.72 231.71) = 100.000%  kept
          HB2   HIS  122 - HN    LYS+ 112  16.96 +/- 1.11   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LYS+ 112  16.10 +/- 1.21   0.003% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  29.33 +/- 1.42   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.15, residual support = 28.5:
          HB2   LYS+ 111 - HN    LYS+ 112   3.74 +/- 0.70  84.510% * 97.8766% (0.87   7.15  28.51) =  99.983%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.32 +/- 0.62  14.796% *  0.0878% (0.28   0.02   0.02) =   0.016%
          HB    ILE  119 - HN    LYS+ 112  10.51 +/- 0.52   0.251% *  0.1537% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  10.78 +/- 1.05   0.299% *  0.0878% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.99 +/- 1.19   0.129% *  0.0703% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.83 +/- 2.41   0.003% *  0.3158% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  24.35 +/- 1.37   0.002% *  0.2528% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.92 +/- 1.05   0.001% *  0.2528% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.18 +/- 2.76   0.005% *  0.0553% (0.18   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  28.21 +/- 1.24   0.001% *  0.2528% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.77 +/- 0.96   0.001% *  0.1537% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  24.43 +/- 1.17   0.002% *  0.0703% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.35 +/- 1.26   0.001% *  0.1788% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  30.37 +/- 1.44   0.000% *  0.1915% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 231.7:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.64 +/- 0.44  99.744% * 98.9690% (0.76  10.0   5.71 231.71) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.19 +/- 2.26   0.242% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  14.84 +/- 1.18   0.004% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.94 +/- 1.90   0.005% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  17.93 +/- 1.05   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.06 +/- 1.59   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.24 +/- 1.00   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.28 +/- 1.59   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  21.16 +/- 1.20   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.35 +/- 1.77   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  24.24 +/- 2.80   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.74 +/- 1.32   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.74 +/- 1.39   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.855, support = 5.78, residual support = 231.7:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.18 +/- 0.58  60.969% * 84.2337% (0.90  10.0   5.67 231.71) =  89.914%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   3.97 +/- 1.08  36.994% * 15.5706% (0.49   1.0   6.81 231.71) =  10.085%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.05 +/- 0.73   1.983% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  10.93 +/- 0.76   0.051% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.89 +/- 1.15   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.02 +/- 2.77   0.001% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.22, residual support = 231.7:
          HG2   LYS+ 112 - HN    LYS+ 112   3.39 +/- 0.75  99.818% * 98.1719% (0.34   6.22 231.71) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  11.90 +/- 0.85   0.105% *  0.7414% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  13.14 +/- 0.85   0.054% *  0.6360% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.29 +/- 1.01   0.023% *  0.4507% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.5, residual support = 6.09:
          QD1   ILE   56 - HN    LYS+ 112   5.88 +/- 1.70  97.751% * 96.4104% (0.76   1.50   6.09) =  99.977%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.45 +/- 1.07   0.794% *  1.6233% (0.97   0.02   0.02) =   0.014%
          QD2   LEU  123 - HN    LYS+ 112  14.22 +/- 0.62   1.188% *  0.5738% (0.34   0.02   0.02) =   0.007%
          QD2   LEU   73 - HN    LYS+ 112  18.39 +/- 1.20   0.235% *  0.8187% (0.49   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+ 112  25.53 +/- 0.91   0.031% *  0.5738% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 14 structures by 2.04 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 231.7:
          HG3   LYS+ 112 - HN    LYS+ 112   3.02 +/- 0.62  99.812% * 99.2167% (0.87   5.93 231.71) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  13.11 +/- 1.24   0.033% *  0.3780% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.41 +/- 0.97   0.153% *  0.0595% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  21.69 +/- 1.14   0.001% *  0.3458% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.14, residual support = 14.9:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.05  99.981% * 99.8622% (0.74  10.0   5.14  14.90) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.22 +/- 0.96   0.012% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.94 +/- 1.14   0.007% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  30.74 +/- 1.24   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.44, residual support = 14.3:
      O   QB    ASP- 113 - HN    ASP- 113   2.18 +/- 0.15 100.000% *100.0000% (0.82  10.0   3.44  14.32) = 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 = 2.89, residual support = 21.9:
          QG    GLU- 114 - HN    ASP- 113   4.46 +/- 0.59  99.162% * 93.6034% (0.26   2.89  21.85) =  99.990%  kept
          HG2   PRO   52 - HN    ASP- 113  13.16 +/- 1.43   0.274% *  1.6038% (0.65   0.02   0.02) =   0.005%
          HB2   PRO   58 - HN    ASP- 113  12.47 +/- 1.82   0.386% *  1.0215% (0.41   0.02   0.02) =   0.004%
          HG2   MET   92 - HN    ASP- 113  14.42 +/- 2.12   0.173% *  0.5233% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  25.65 +/- 1.15   0.004% *  0.7876% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  32.99 +/- 1.30   0.001% *  1.9372% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.85 +/- 1.65   0.001% *  0.5233% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 1 structures by 0.14 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 2.42, residual support = 7.99:
          HB2   LYS+ 111 - HN    ASP- 113   3.67 +/- 0.81  72.082% * 54.5663% (0.85   2.18   3.85) =  76.986%  kept
          QB    GLU- 114 - HN    ASP- 113   4.43 +/- 0.32  27.679% * 42.4799% (0.45   3.22  21.85) =  23.014%  kept
          HB    ILE  119 - HN    ASP- 113   9.65 +/- 0.37   0.231% *  0.1252% (0.21   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP- 113  23.58 +/- 2.48   0.002% *  0.4504% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.82 +/- 2.78   0.003% *  0.1885% (0.32   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  25.22 +/- 1.24   0.001% *  0.4923% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.11 +/- 0.88   0.001% *  0.4923% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  25.20 +/- 0.86   0.001% *  0.2252% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.90 +/- 1.04   0.000% *  0.2642% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  31.58 +/- 1.34   0.000% *  0.4356% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  27.80 +/- 1.39   0.000% *  0.1550% (0.26   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.41 +/- 0.85   0.000% *  0.1252% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.04, residual support = 14.9:
          HB2   LYS+ 112 - HN    ASP- 113   3.19 +/- 0.45  99.717% * 96.0313% (0.65   5.04  14.90) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.95 +/- 2.18   0.213% *  0.0769% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.44 +/- 1.50   0.022% *  0.3225% (0.55   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.62 +/- 2.24   0.035% *  0.1871% (0.32   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.19 +/- 0.89   0.004% *  0.4602% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.19 +/- 1.16   0.003% *  0.3424% (0.59   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.63 +/- 1.62   0.002% *  0.4602% (0.79   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.16 +/- 1.41   0.001% *  0.4324% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  24.60 +/- 2.26   0.001% *  0.4164% (0.71   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.51 +/- 0.90   0.001% *  0.2049% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.94 +/- 2.87   0.001% *  0.1243% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.06 +/- 1.43   0.000% *  0.4811% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  31.06 +/- 1.19   0.000% *  0.4602% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.703, support = 4.73, residual support = 14.9:
          HB3   LYS+ 112 - HN    ASP- 113   3.91 +/- 0.34  72.862% * 58.6325% (0.76   4.51  14.90) =  82.324%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.19 +/- 0.92  22.495% * 40.7632% (0.41   5.77  14.90) =  17.670%  kept
          QG2   VAL  107 - HN    ASP- 113   6.41 +/- 0.54   4.514% *  0.0574% (0.17   0.02   0.02) =   0.005%
          QG2   THR   94 - HN    ASP- 113  11.72 +/- 0.81   0.118% *  0.2517% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  18.67 +/- 1.53   0.008% *  0.1760% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.25 +/- 2.62   0.003% *  0.1193% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.29, residual support = 21.9:
      O   HA    ASP- 113 - HN    GLU- 114   3.61 +/- 0.04  99.545% * 99.6702% (1.00  10.0   3.29  21.85) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.60 +/- 0.66   0.313% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  11.21 +/- 0.79   0.124% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  16.23 +/- 0.40   0.012% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.12 +/- 1.53   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  27.67 +/- 1.81   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  22.78 +/- 2.91   0.002% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.29, residual support = 21.9:
          QB    ASP- 113 - HN    GLU- 114   2.57 +/- 0.29  99.994% * 99.8602% (0.97   3.29  21.85) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.76 +/- 1.20   0.006% *  0.1398% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.36, residual support = 44.3:
          QG    GLU- 114 - HN    GLU- 114   2.62 +/- 0.53  99.981% * 97.7083% (0.84   4.36  44.28) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.64 +/- 1.49   0.011% *  0.5257% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  14.15 +/- 2.05   0.008% *  0.4099% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.08 +/- 1.16   0.000% *  0.4810% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  31.73 +/- 1.64   0.000% *  0.4652% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  33.12 +/- 1.76   0.000% *  0.4099% (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 = 0.84, support = 3.76, residual support = 40.6:
      O   QB    GLU- 114 - HN    GLU- 114   2.30 +/- 0.25  54.331% * 89.8061% (0.84  10.0   3.92  44.28) =  91.728%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.89 +/- 1.25  45.669% *  9.6349% (0.90   1.0   2.00   0.17) =   8.272%  kept
          HG2   PRO   68 - HN    GLU- 114  21.87 +/- 2.92   0.000% *  0.0739% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.72 +/- 2.56   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.28 +/- 0.98   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.70 +/- 0.91   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  24.14 +/- 1.10   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  30.34 +/- 1.56   0.000% *  0.1075% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.54 +/- 1.32   0.000% *  0.0268% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.0199, residual support = 0.165:
          HB3   LYS+ 111 - HN    GLU- 114   3.63 +/- 0.65  99.557% * 15.6743% (0.92   0.02   0.17) =  99.687%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.84 +/- 1.08   0.152% * 16.6435% (0.98   0.02   0.02) =   0.162%
          HD2   LYS+ 121 - HN    GLU- 114  11.29 +/- 2.28   0.237% *  6.9806% (0.41   0.02   0.02) =   0.105%
          QD    LYS+  66 - HN    GLU- 114  16.16 +/- 2.45   0.024% * 13.5963% (0.80   0.02   0.02) =   0.020%
          HG    LEU  104 - HN    GLU- 114  17.36 +/- 1.69   0.012% * 16.6435% (0.98   0.02   0.02) =   0.013%
          HD3   LYS+  74 - HN    GLU- 114  19.15 +/- 1.14   0.010% * 15.2279% (0.90   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HN    GLU- 114  19.57 +/- 1.28   0.007% *  5.7919% (0.34   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    GLU- 114  23.88 +/- 0.88   0.002% *  4.7210% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    GLU- 114  29.47 +/- 2.32   0.001% *  4.7210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 1 structures by 0.12 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 = 0.498, support = 1.43, residual support = 4.87:
          QG2   VAL  107 - HN    GLU- 114   5.18 +/- 0.57  70.617% * 66.7663% (0.53   1.47   5.32) =  91.513%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.53 +/- 1.33  26.589% * 15.2777% (0.15   1.14   0.02) =   7.885%  kept
          HG13  ILE  119 - HN    GLU- 114   9.51 +/- 1.07   2.261% * 13.4503% (0.73   0.21   0.02) =   0.590%  kept
          HG2   LYS+ 121 - HN    GLU- 114  12.90 +/- 1.79   0.434% *  1.3227% (0.76   0.02   0.02) =   0.011%
          HG13  ILE  103 - HN    GLU- 114  16.57 +/- 1.83   0.082% *  0.2671% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    GLU- 114  21.77 +/- 1.11   0.012% *  1.7270% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.65 +/- 1.67   0.005% *  1.1889% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.15 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   3.07 +/- 0.36  99.962% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  12.47 +/- 1.66   0.036% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  22.02 +/- 3.43   0.001% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.43 +/- 1.32   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.98 +/- 1.51   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.34 +/- 1.11   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.91 +/- 0.06  99.991% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  14.61 +/- 1.68   0.009% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.22 +/- 0.70   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   2.22 +/- 0.08  99.994% * 99.4046% (0.57  10.0   6.39  75.58) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  11.64 +/- 1.24   0.006% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  23.17 +/- 2.94   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.26 +/- 1.03   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.23 +/- 1.54   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.58 +/- 1.04   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   2.92 +/- 0.42  99.865% * 97.4409% (0.69   4.30  75.58) =  99.999%  kept
          QB    GLN   32 - HN    GLU- 100  10.47 +/- 1.32   0.118% *  0.6460% (0.98   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLU- 100  14.93 +/- 1.94   0.010% *  0.6460% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  17.67 +/- 1.59   0.004% *  0.6234% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.08 +/- 1.33   0.002% *  0.1467% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.63 +/- 1.66   0.001% *  0.1832% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.47 +/- 2.67   0.000% *  0.1304% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.92 +/- 1.45   0.000% *  0.1832% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 39.6:
          HB2   LYS+  99 - HN    GLU- 100   4.50 +/- 0.11  99.725% * 99.1237% (0.73   5.60  39.58) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.29 +/- 0.86   0.268% *  0.4072% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  27.70 +/- 2.11   0.002% *  0.3726% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  24.26 +/- 1.93   0.005% *  0.0965% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.08 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   3.28 +/- 0.35  95.042% * 98.3860% (0.90   6.35  39.58) =  99.983%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.70 +/- 1.98   4.703% *  0.3333% (0.97   0.02   0.02) =   0.017%
          HB2   LEU   31 - HN    GLU- 100   9.71 +/- 1.24   0.231% *  0.1955% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.08 +/- 1.59   0.011% *  0.1066% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.60 +/- 0.97   0.004% *  0.2095% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.71 +/- 0.93   0.007% *  0.0769% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  24.36 +/- 1.68   0.001% *  0.3267% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.42 +/- 2.14   0.001% *  0.2234% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  24.07 +/- 4.00   0.001% *  0.1420% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.81, residual support = 175.6:
      O   HB2   LYS+  99 - HN    LYS+  99   2.70 +/- 0.27  99.927% * 99.7262% (0.99  10.0   4.81 175.58) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.45 +/- 0.89   0.040% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.39 +/- 0.66   0.024% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.00 +/- 1.02   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  15.77 +/- 1.16   0.003% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  26.63 +/- 2.19   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.68 +/- 1.08   0.004% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  20.04 +/- 2.62   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 = 3.98, residual support = 18.4:
          QB    LEU   98 - HN    LYS+  99   3.38 +/- 0.20  97.840% * 93.7691% (0.57   3.98  18.35) =  99.997%  kept
          HD3   LYS+ 121 - HN    LYS+  99  11.41 +/- 2.63   0.216% *  0.7213% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LYS+  99  13.18 +/- 1.46   0.038% *  0.3728% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.34 +/- 0.65   1.223% *  0.0084% (0.01   0.02   5.13) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.47 +/- 1.02   0.076% *  0.1283% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30   9.90 +/- 0.81   0.189% *  0.0490% (0.06   0.02  14.90) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.80 +/- 1.79   0.010% *  0.7457% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30   9.85 +/- 1.20   0.214% *  0.0309% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.35 +/- 2.29   0.015% *  0.2312% (0.28   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.26 +/- 0.78   0.004% *  0.6946% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.31 +/- 0.75   0.004% *  0.6946% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.63 +/- 0.79   0.005% *  0.5043% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.87 +/- 0.52   0.058% *  0.0456% (0.05   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  14.35 +/- 4.77   0.053% *  0.0437% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  22.83 +/- 3.94   0.002% *  0.8025% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  15.09 +/- 3.25   0.023% *  0.0527% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  23.22 +/- 4.98   0.002% *  0.6658% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.51 +/- 1.26   0.002% *  0.2566% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.91 +/- 0.93   0.007% *  0.0245% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.62 +/- 2.08   0.010% *  0.0169% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  17.70 +/- 0.86   0.005% *  0.0331% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.61 +/- 1.22   0.002% *  0.0456% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  22.43 +/- 2.41   0.002% *  0.0474% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.71 +/- 1.16   0.002% *  0.0152% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.75, support = 3.46, residual support = 17.6:
          QD2   LEU  104 - HN    LYS+  99   3.14 +/- 0.74  57.268% * 47.8535% (0.80   3.11  17.08) =  55.796%  kept
          QD1   LEU   98 - HN    LYS+  99   3.56 +/- 0.76  42.054% * 51.6260% (0.69   3.91  18.35) =  44.204%  kept
          QD1   ILE   19 - HN    GLN   30   7.05 +/- 0.81   0.565% *  0.0163% (0.04   0.02  14.90) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  13.92 +/- 1.23   0.009% *  0.2488% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.25 +/- 1.13   0.063% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.57 +/- 0.80   0.006% *  0.0856% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.73 +/- 0.79   0.002% *  0.1187% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  11.90 +/- 0.60   0.020% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  14.67 +/- 1.07   0.005% *  0.0202% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.05 +/- 0.82   0.007% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.85, support = 4.08, residual support = 16.8:
          QD1   LEU  104 - HN    LYS+  99   4.03 +/- 0.65  62.763% * 93.8084% (0.87   4.12  17.08) =  97.799%  kept
          QD1   LEU   73 - HN    GLN   30   4.54 +/- 0.58  35.506% *  3.7218% (0.06   2.49   5.13) =   2.195%  kept
          QD1   LEU   73 - HN    LYS+  99   9.63 +/- 0.92   0.505% *  0.4555% (0.87   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LYS+  99  11.41 +/- 1.39   0.163% *  0.4555% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  10.50 +/- 1.14   0.241% *  0.1460% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN   30  11.77 +/- 4.35   0.483% *  0.0342% (0.07   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.12 +/- 1.12   0.027% *  0.5240% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  18.88 +/- 4.68   0.018% *  0.5205% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  16.96 +/- 2.81   0.022% *  0.2159% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30  11.64 +/- 2.21   0.186% *  0.0142% (0.03   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.72 +/- 1.02   0.032% *  0.0299% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.26 +/- 1.43   0.025% *  0.0299% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.34 +/- 1.23   0.025% *  0.0096% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.36 +/- 1.37   0.005% *  0.0344% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.02, residual support = 10.8:
          HB3   PHE   97 - HN    LEU   98   3.78 +/- 0.35  99.305% * 97.5360% (0.65   4.02  10.84) =  99.995%  kept
          HB2   GLU- 100 - HN    LEU   98   9.09 +/- 0.47   0.598% *  0.6734% (0.90   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    LEU   98  13.18 +/- 1.28   0.068% *  0.3950% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  17.69 +/- 1.08   0.012% *  0.6012% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.57 +/- 1.52   0.009% *  0.6272% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.20 +/- 1.30   0.007% *  0.1672% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.676, support = 4.12, residual support = 26.2:
          HB    VAL   41 - HN    LEU   98   4.58 +/- 1.39  62.941% * 47.9568% (0.65   4.58  26.28) =  76.773%  kept
          HG12  ILE  103 - HN    LEU   98   5.45 +/- 0.51  24.753% * 34.9803% (0.80   2.70  27.12) =  22.023%  kept
          HB3   ASP- 105 - HN    LEU   98   7.75 +/- 0.75   2.703% * 11.0322% (0.45   1.52   3.78) =   0.759%  kept
          HB    ILE  103 - HN    LEU   98   7.21 +/- 0.34   3.801% *  4.5021% (0.53   0.53  27.12) =   0.435%
          QB    LYS+ 106 - HN    LEU   98   7.41 +/- 1.02   5.249% *  0.0640% (0.20   0.02   0.02) =   0.009%
          HG    LEU  123 - HN    LEU   98  14.98 +/- 2.78   0.080% *  0.3172% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   98  14.39 +/- 2.35   0.135% *  0.1832% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LEU   98  11.70 +/- 0.88   0.174% *  0.1104% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   98  12.98 +/- 1.69   0.120% *  0.1451% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  20.73 +/- 1.18   0.007% *  0.3172% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.92 +/- 0.97   0.025% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.04 +/- 1.22   0.004% *  0.1575% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  22.56 +/- 2.29   0.004% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  23.22 +/- 0.93   0.003% *  0.0900% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 1 structures by 0.23 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.0, residual support = 80.5:
      O   QB    LEU   98 - HN    LEU   98   2.66 +/- 0.19  97.916% * 99.2383% (0.84  10.0   5.00  80.46) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.54 +/- 0.86   1.947% *  0.0208% (0.18   1.0   0.02   0.48) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  10.53 +/- 2.67   0.076% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  14.04 +/- 1.90   0.010% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.80 +/- 1.17   0.027% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.55 +/- 0.92   0.004% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.15 +/- 0.93   0.008% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.61 +/- 0.85   0.003% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.48 +/- 0.76   0.004% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  19.62 +/- 3.77   0.001% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  20.21 +/- 4.73   0.001% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.38 +/- 1.34   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.35 +/- 1.18   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.78, residual support = 10.6:
          QD2   LEU   40 - HN    LEU   98   2.41 +/- 0.51  96.814% * 98.3882% (0.97   4.78  10.58) =  99.992%  kept
          QG2   ILE  103 - HN    LEU   98   5.71 +/- 0.32   1.406% *  0.3699% (0.87   0.02  27.12) =   0.005%
          QD1   ILE  103 - HN    LEU   98   5.92 +/- 0.72   1.056% *  0.0844% (0.20   0.02  27.12) =   0.001%
          QD1   LEU   67 - HN    LEU   98   8.89 +/- 1.79   0.211% *  0.4034% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    LEU   98   9.34 +/- 1.44   0.500% *  0.1186% (0.28   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    LEU   98  12.48 +/- 1.07   0.010% *  0.3097% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.52 +/- 0.77   0.002% *  0.3259% (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 = 0.437, support = 3.93, residual support = 60.1:
          QD1   LEU   98 - HN    LEU   98   4.00 +/- 0.57  40.795% * 49.2566% (0.38   4.84  80.46) =  68.992%  kept
          QD2   LEU  104 - HN    LEU   98   5.19 +/- 1.02  13.524% * 32.9381% (0.99   1.23   6.58) =  15.294%  kept
          QG1   VAL   41 - HN    LEU   98   4.43 +/- 0.79  33.557% * 11.9386% (0.15   2.86  26.28) =  13.755%  kept
          QG1   VAL   43 - HN    LEU   98   5.24 +/- 0.87  11.936% *  4.7737% (0.28   0.63   0.02) =   1.956%  kept
          QD1   ILE   19 - HN    LEU   98  11.85 +/- 1.27   0.076% *  0.5003% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  11.43 +/- 1.00   0.093% *  0.2638% (0.49   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LEU   98  14.43 +/- 0.74   0.020% *  0.3287% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.226, support = 4.32, residual support = 48.2:
          QD2   LEU   98 - HN    LEU   98   3.92 +/- 0.72  51.301% * 27.1485% (0.15   4.68  80.46) =  45.029%  kept
          QG2   VAL   41 - HN    LEU   98   4.44 +/- 0.76  27.080% * 48.6935% (0.28   4.66  26.28) =  42.632%  kept
          QD1   LEU  104 - HN    LEU   98   5.03 +/- 0.67  17.849% * 21.2431% (0.31   1.83   6.58) =  12.259%  kept
          QD1   LEU   73 - HN    LEU   98   7.24 +/- 0.93   1.648% *  0.6745% (0.90   0.02   0.02) =   0.036%
          QD2   LEU   63 - HN    LEU   98   7.92 +/- 1.00   1.097% *  0.6282% (0.84   0.02   0.02) =   0.022%
          QD1   LEU   63 - HN    LEU   98   8.44 +/- 1.38   0.912% *  0.6745% (0.90   0.02   0.02) =   0.020%
          QD2   LEU  115 - HN    LEU   98  12.63 +/- 1.23   0.069% *  0.4258% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   98  16.27 +/- 4.46   0.031% *  0.3957% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  17.63 +/- 4.23   0.014% *  0.1160% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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   2.54 +/- 0.35  98.682% * 99.6886% (0.95  10.0   4.84  62.64) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.70 +/- 0.68   1.193% *  0.0554% (0.53   1.0   0.02   9.99) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.11 +/- 0.81   0.061% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.10 +/- 0.82   0.008% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.86 +/- 0.54   0.043% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.57 +/- 1.48   0.009% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.30 +/- 1.34   0.004% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 46.1:
          HG2   MET   96 - HN    PHE   97   3.36 +/- 0.70  99.967% * 99.4690% (0.73   5.60  46.05) = 100.000%  kept
          HB2   ASP-  62 - HN    PHE   97  15.33 +/- 1.71   0.027% *  0.1221% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    PHE   97  18.79 +/- 1.58   0.006% *  0.4089% (0.84   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 = 5.2, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.33 +/- 0.38  98.736% * 99.0693% (0.34  10.0   5.20  62.64) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.27 +/- 0.59   1.185% *  0.0808% (0.28   1.0   0.02   2.44) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.35 +/- 0.73   0.048% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.02 +/- 1.39   0.012% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.12 +/- 0.86   0.013% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.54 +/- 1.35   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 = 0.481, support = 5.4, residual support = 48.8:
          HB2   MET   96 - HN    PHE   97   3.85 +/- 0.32  83.640% * 35.2425% (0.31   6.07  46.05) =  74.375%  kept
          HB2   ASP- 105 - HN    PHE   97   5.39 +/- 0.93  16.041% * 63.3055% (0.98   3.44  56.87) =  25.623%  kept
          HG12  ILE  119 - HN    PHE   97  10.99 +/- 1.33   0.218% *  0.1546% (0.41   0.02   0.45) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  13.46 +/- 0.74   0.054% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  15.78 +/- 1.22   0.022% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.32 +/- 0.90   0.008% *  0.3010% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.43 +/- 0.76   0.008% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  18.60 +/- 0.94   0.008% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 46.1:
          HB3   MET   96 - HN    PHE   97   4.35 +/- 0.31  99.586% * 91.3874% (0.15   6.07  46.05) =  99.994%  kept
          HB3   GLN   30 - HN    PHE   97  13.58 +/- 0.98   0.126% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  14.53 +/- 0.59   0.080% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.20 +/- 1.25   0.110% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.03 +/- 1.07   0.071% *  1.0259% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.72 +/- 1.43   0.020% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.54 +/- 1.11   0.006% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  31.42 +/- 2.03   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.14 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.625, support = 1.41, residual support = 1.62:
          QG2   ILE  103 - HN    PHE   97   3.62 +/- 0.29  87.173% * 50.1453% (0.61   1.45   1.64) =  88.524%  kept
          QD2   LEU   40 - HN    PHE   97   5.25 +/- 0.75  12.017% * 47.1179% (0.76   1.09   1.46) =  11.466%  kept
          QD1   LEU   67 - HN    PHE   97  10.30 +/- 2.06   0.340% *  0.8252% (0.73   0.02   0.02) =   0.006%
          QD1   ILE  119 - HN    PHE   97  10.28 +/- 1.67   0.383% *  0.2834% (0.25   0.02   0.45) =   0.002%
          HB    VAL   75 - HN    PHE   97  12.06 +/- 0.99   0.074% *  1.0751% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    PHE   97  15.75 +/- 0.77   0.014% *  0.5532% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.67 +/- 0.42  99.907% * 95.7142% (0.24   4.00  11.99) =  99.999%  kept
          HB3   TRP   87 - HN    MET   96  14.35 +/- 1.73   0.039% *  1.0876% (0.54   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  17.90 +/- 0.67   0.009% *  1.8830% (0.93   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    MET   96  15.99 +/- 0.85   0.017% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.69 +/- 0.88   0.028% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.07, residual support = 115.6:
      O   HB2   MET   96 - HN    MET   96   2.90 +/- 0.29  99.620% * 99.6054% (0.94  10.0   4.07 115.55) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.08 +/- 0.59   0.298% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.52 +/- 1.05   0.036% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.30 +/- 0.73   0.009% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.07 +/- 0.97   0.007% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.72 +/- 1.27   0.023% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.97 +/- 0.81   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  17.41 +/- 0.70   0.003% *  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 = 115.6:
      O   HB3   MET   96 - HN    MET   96   2.57 +/- 0.21  99.947% * 99.5022% (0.57  10.0   3.97 115.55) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.03 +/- 0.90   0.021% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.85 +/- 1.58   0.018% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.98 +/- 1.13   0.012% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.67 +/- 0.98   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.69 +/- 0.89   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.41 +/- 1.77   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   3.30 +/- 0.47  99.542% * 76.2797% (0.19   1.50  16.41) =  99.982%  kept
          HB2   LEU   71 - HN    MET   96  10.99 +/- 1.23   0.117% *  4.4580% (0.82   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    MET   96  10.93 +/- 0.77   0.116% *  2.5016% (0.46   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    MET   96  11.96 +/- 0.26   0.056% *  3.7319% (0.69   0.02   0.14) =   0.003%
          HB2   LYS+  99 - HN    MET   96  11.53 +/- 0.79   0.084% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    MET   96  13.97 +/- 0.88   0.024% *  4.2927% (0.79   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.69 +/- 1.62   0.049% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.66 +/- 0.88   0.008% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  19.44 +/- 1.55   0.003% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.54, residual support = 2.17:
          QG2   THR   94 - HN    MET   96   4.40 +/- 0.33  99.069% * 95.4372% (0.85   1.54   2.17) =  99.990%  kept
          HB3   LEU   71 - HN    MET   96  11.52 +/- 1.66   0.557% *  1.3102% (0.89   0.02   0.02) =   0.008%
          HG3   LYS+ 111 - HN    MET   96  13.55 +/- 2.05   0.176% *  0.3851% (0.26   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  16.22 +/- 0.79   0.043% *  1.2015% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  16.81 +/- 1.41   0.036% *  1.3577% (0.93   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    MET   96  14.00 +/- 1.45   0.118% *  0.3084% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.03 +/- 0.48  95.890% * 96.6032% (0.76   2.96  16.41) =  99.972%  kept
          QG1   VAL   41 - HN    MET   96   8.17 +/- 0.64   1.591% *  0.4949% (0.57   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    MET   96   9.43 +/- 0.77   0.772% *  0.7874% (0.91   0.02   0.02) =   0.007%
          QD2   LEU  104 - HN    MET   96   9.44 +/- 0.88   0.997% *  0.5925% (0.69   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    MET   96   9.98 +/- 0.68   0.602% *  0.8141% (0.94   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    MET   96  12.45 +/- 0.83   0.148% *  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 = 0.828, support = 0.983, residual support = 0.859:
          QD1   LEU   63 - HN    MET   96   6.23 +/- 1.33  29.114% * 51.5036% (0.85   1.07   0.88) =  79.647%  kept
          QD2   LEU   63 - HN    MET   96   7.17 +/- 1.17  10.925% * 30.4016% (0.79   0.68   0.88) =  17.642%  kept
          QD2   LEU  115 - HN    MET   96   9.69 +/- 1.06   1.953% * 15.6136% (0.54   0.52   0.02) =   1.619%  kept
          QD1   LEU   73 - HN    MET   96   7.29 +/- 0.69   9.923% *  0.9599% (0.85   0.02   0.02) =   0.506%  kept
          QG2   VAL   41 - HN    MET   96   6.76 +/- 0.89  17.645% *  0.2976% (0.26   0.02   0.02) =   0.279%
          QD2   LEU   98 - HN    MET   96   6.15 +/- 0.81  26.919% *  0.1651% (0.15   0.02   0.41) =   0.236%
          QD1   LEU  104 - HN    MET   96   9.23 +/- 0.70   2.198% *  0.3303% (0.29   0.02   0.02) =   0.039%
          QD2   LEU   80 - HN    MET   96  13.15 +/- 4.11   0.978% *  0.5631% (0.50   0.02   0.02) =   0.029%
          QD1   LEU   80 - HN    MET   96  14.60 +/- 3.79   0.346% *  0.1651% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 8 structures by 0.83 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.529, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   9.88 +/- 1.27  24.357% * 55.1266% (0.72   0.02   0.02) =  50.032%  kept
          QG2   VAL   83 - HN    MET   96  10.23 +/- 2.18  23.769% * 35.1112% (0.46   0.02   0.02) =  31.098%  kept
          QD2   LEU   31 - HN    MET   96   8.65 +/- 0.86  51.874% *  9.7622% (0.13   0.02   0.02) =  18.870%  kept
    Distance limit 4.44 A violated in 20 structures by 3.18 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   2.45 +/- 0.20 100.000% *100.0000% (0.87  10.0   3.86  73.49) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.49 +/- 0.31  99.930% * 99.8580% (0.98  10.0   4.19  73.49) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.42 +/- 1.00   0.067% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  20.71 +/- 1.01   0.003% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.8:
          HB    VAL  107 - HN    PHE   95   3.46 +/- 0.61  98.451% * 98.3879% (0.99   3.24  45.81) =  99.993%  kept
          HB3   PHE   45 - HN    PHE   95   7.85 +/- 0.75   1.423% *  0.4204% (0.69   0.02   1.89) =   0.006%
          QE    LYS+ 112 - HN    PHE   95  12.02 +/- 1.67   0.103% *  0.4204% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   95  16.19 +/- 1.30   0.016% *  0.2297% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  19.98 +/- 1.53   0.004% *  0.4204% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  21.71 +/- 1.14   0.002% *  0.1211% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.815, support = 4.22, residual support = 16.8:
          QG2   THR   94 - HN    PHE   95   2.66 +/- 0.42  74.348% * 79.4577% (0.87   4.20  14.40) =  92.214%  kept
          QG2   VAL  107 - HN    PHE   95   3.45 +/- 0.65  25.584% * 19.4946% (0.20   4.52  45.81) =   7.785%  kept
          HG13  ILE  103 - HN    PHE   95   9.40 +/- 0.67   0.051% *  0.2646% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.84 +/- 0.83   0.006% *  0.3913% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.36 +/- 1.36   0.006% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.30 +/- 2.06   0.005% *  0.1794% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.62 +/- 0.18  99.905% * 98.9931% (0.65  10.0   3.08  25.31) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.78 +/- 0.92   0.046% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.40 +/- 0.95   0.017% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  13.04 +/- 0.69   0.008% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  15.39 +/- 1.05   0.003% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.90 +/- 1.30   0.010% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.06 +/- 1.33   0.002% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.40 +/- 1.11   0.001% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.48 +/- 1.40   0.002% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  14.05 +/- 0.84   0.005% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  19.83 +/- 1.10   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.83 +/- 0.76   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   2.81 +/- 0.89  99.815% * 98.8926% (0.95   2.96  27.19) =  99.999%  kept
          QE    LYS+ 111 - HN    THR   94  10.94 +/- 1.39   0.159% *  0.7071% (1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    THR   94  13.95 +/- 0.91   0.026% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 1 structures by 0.09 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.552, support = 1.49, residual support = 26.2:
          HB3   PHE   45 - HN    THR   94   4.34 +/- 0.85  86.475% * 72.7385% (0.57   1.50  27.19) =  96.270%  kept
          HB    VAL  107 - HN    THR   94   6.91 +/- 0.76  11.532% * 21.0111% (0.20   1.24   0.02) =   3.708%  kept
          HG3   MET   96 - HN    THR   94   9.40 +/- 0.88   1.252% *  0.4763% (0.28   0.02   2.17) =   0.009%
          QE    LYS+ 112 - HN    THR   94  12.20 +/- 2.33   0.451% *  0.9698% (0.57   0.02   0.02) =   0.007%
          HB3   ASP-  62 - HN    THR   94  12.89 +/- 1.28   0.208% *  1.1767% (0.69   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    THR   94  14.33 +/- 1.64   0.074% *  1.6979% (0.99   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   94  21.50 +/- 0.92   0.007% *  1.6979% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  26.29 +/- 1.56   0.002% *  0.2318% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.08 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.4, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.99 +/- 0.17  94.249% * 99.5171% (0.98  10.0   4.40  15.60) =  99.996%  kept
          HB    VAL  108 - HN    THR   94   7.63 +/- 1.58   4.421% *  0.0697% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94   9.49 +/- 1.85   1.015% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.78 +/- 0.86   0.095% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.48 +/- 1.07   0.116% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.72 +/- 1.14   0.068% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.70 +/- 0.80   0.019% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.07 +/- 0.93   0.011% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.08 +/- 0.89   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  23.99 +/- 1.72   0.002% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  34.07 +/- 2.02   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.893, support = 2.73, residual support = 15.4:
      O   HB3   PRO   93 - HN    THR   94   4.05 +/- 0.26  80.231% * 94.6997% (0.90  10.0   2.74  15.60) =  98.955%  kept
          HB3   ASP-  44 - HN    THR   94   5.53 +/- 0.92  17.926% *  4.4697% (0.49   1.0   1.74   0.02) =   1.044%  kept
          QB    ALA   84 - HN    THR   94  10.74 +/- 0.98   0.313% *  0.0916% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  10.45 +/- 1.35   0.482% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    THR   94  11.17 +/- 0.72   0.197% *  0.0916% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.02 +/- 1.25   0.261% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  10.77 +/- 1.05   0.277% *  0.0598% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.19 +/- 1.48   0.081% *  0.0807% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.57 +/- 1.55   0.079% *  0.0807% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  14.24 +/- 2.68   0.093% *  0.0294% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  16.28 +/- 1.50   0.024% *  0.0598% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  18.29 +/- 1.06   0.011% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.38 +/- 0.91   0.006% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.92 +/- 0.79   0.012% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.56 +/- 1.21   0.004% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.95 +/- 1.34   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.51, residual support = 25.3:
          QG2   THR   94 - HN    THR   94   3.79 +/- 0.09  99.356% * 94.3489% (0.34   3.51  25.31) =  99.992%  kept
          HG12  ILE   89 - HN    THR   94  10.44 +/- 0.93   0.266% *  1.2032% (0.76   0.02   1.36) =   0.003%
          HG3   LYS+ 111 - HN    THR   94  11.04 +/- 1.20   0.201% *  1.3151% (0.84   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HN    THR   94  13.67 +/- 2.26   0.073% *  1.1433% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.42 +/- 1.64   0.068% *  0.4859% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  16.34 +/- 1.80   0.024% *  1.2607% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.51 +/- 1.45   0.012% *  0.2429% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.885, support = 0.02, residual support = 1.33:
          QG2   ILE   89 - HN    THR   94   6.42 +/- 0.86  93.937% * 76.3346% (0.90   0.02   1.36) =  98.038%  kept
          QG1   VAL   83 - HN    THR   94  10.63 +/- 1.70   6.063% * 23.6654% (0.28   0.02   0.02) =   1.962%  kept
    Distance limit 4.53 A violated in 18 structures by 1.82 A, eliminated.
    Peak unassigned.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.173, support = 3.88, residual support = 60.7:
          HG3   MET   92 - HN    MET   92   3.99 +/- 0.50  95.496% * 40.3552% (0.14   4.04  64.04) =  94.806%  kept
          QG    GLN   90 - HN    MET   92   7.09 +/- 0.48   4.064% * 51.8001% (0.87   0.81   0.02) =   5.179%  kept
          HB2   ASP-  44 - HN    MET   92  10.99 +/- 1.46   0.375% *  1.4458% (0.98   0.02   0.02) =   0.013%
          HB3   PHE   72 - HN    MET   92  16.99 +/- 1.71   0.021% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  15.80 +/- 1.23   0.035% *  0.7760% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   92  23.06 +/- 1.66   0.004% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.65 +/- 2.29   0.002% *  1.4235% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  23.13 +/- 1.82   0.003% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  33.86 +/- 2.15   0.000% *  1.0711% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.05 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   2.65 +/- 0.51  98.847% * 99.5386% (1.00  10.0   3.94  64.04) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.46 +/- 0.49   1.049% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.13 +/- 1.06   0.057% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  11.64 +/- 0.87   0.022% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  16.41 +/- 1.86   0.005% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  13.37 +/- 1.74   0.018% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  20.23 +/- 1.50   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  28.14 +/- 1.83   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  22.85 +/- 1.33   0.001% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  27.44 +/- 2.00   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  38.06 +/- 2.63   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.28, residual support = 64.0:
      O   HB3   MET   92 - HN    MET   92   3.62 +/- 0.31  93.960% * 99.1115% (0.57  10.0   4.28  64.04) =  99.997%  kept
          HB    ILE   89 - HN    MET   92   7.77 +/- 1.69   2.691% *  0.0437% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    MET   92   6.73 +/- 0.23   2.593% *  0.0346% (0.20   1.0   0.02   1.54) =   0.001%
          QG1   ILE   56 - HN    MET   92   9.02 +/- 0.90   0.574% *  0.1338% (0.76   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HN    MET   92  13.01 +/- 1.51   0.053% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.46 +/- 2.10   0.100% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  15.40 +/- 1.61   0.022% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.22 +/- 1.05   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  22.59 +/- 0.74   0.002% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  22.94 +/- 1.37   0.002% *  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   3.05 +/- 0.58  98.585% * 96.7024% (1.00   3.55  14.21) =  99.995%  kept
          QG2   ILE   56 - HN    MET   92   7.36 +/- 1.05   1.295% *  0.3747% (0.69   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HN    MET   92  11.69 +/- 1.94   0.093% *  0.3529% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  14.64 +/- 1.65   0.019% *  0.1080% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  20.34 +/- 1.15   0.002% *  0.5443% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  18.83 +/- 1.02   0.003% *  0.2655% (0.49   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.21 +/- 1.42   0.002% *  0.4732% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.22 +/- 1.74   0.001% *  0.3309% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  24.94 +/- 0.94   0.001% *  0.3747% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  29.11 +/- 2.26   0.000% *  0.4732% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 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   3.98 +/- 0.44  99.510% * 96.1995% (0.61   2.49   7.83) =  99.999%  kept
          HB    THR  118 - HN    ALA   91  18.05 +/- 1.16   0.016% *  1.2057% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  14.16 +/- 0.54   0.058% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  12.48 +/- 2.90   0.281% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  14.38 +/- 0.87   0.061% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  15.00 +/- 1.09   0.041% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  17.23 +/- 1.72   0.017% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.02 +/- 1.06   0.005% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  19.34 +/- 1.77   0.010% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  27.19 +/- 1.50   0.001% *  0.5715% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  28.84 +/- 0.99   0.001% *  0.7731% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  30.47 +/- 1.56   0.001% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.18 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 4.95, residual support = 32.3:
          HB2   GLN   90 - HN    ALA   91   3.62 +/- 0.92  72.552% * 95.7144% (0.73   4.96  32.55) =  99.357%  kept
          HB2   GLU-  25 - HN    TRP   27   4.80 +/- 0.10  18.137% *  2.4519% (0.02   3.77   0.02) =   0.636%  kept
          HG3   GLU-  29 - HN    TRP   27   6.08 +/- 0.52   5.025% *  0.0589% (0.11   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    TRP   27   6.72 +/- 0.57   3.927% *  0.0345% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   91  12.68 +/- 1.40   0.077% *  0.1051% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    TRP   27  10.63 +/- 1.94   0.226% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.25 +/- 1.74   0.001% *  0.4764% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.58 +/- 0.44   0.035% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  20.08 +/- 1.99   0.005% *  0.1051% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  18.17 +/- 2.11   0.008% *  0.0621% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  25.14 +/- 1.69   0.001% *  0.2795% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  20.08 +/- 1.59   0.004% *  0.0477% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  31.03 +/- 1.97   0.000% *  0.5025% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  28.07 +/- 1.00   0.001% *  0.1325% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.986, support = 4.95, residual support = 32.4:
          HB3   GLN   90 - HN    ALA   91   3.13 +/- 0.86  82.991% * 89.4237% (0.99   4.96  32.55) =  99.405%  kept
          HB2   MET   92 - HN    ALA   91   5.20 +/- 0.98   6.245% *  7.0721% (0.15   2.52  14.21) =   0.592%  kept
          HB3   GLN   30 - HN    TRP   27   5.61 +/- 0.71   9.833% *  0.0112% (0.03   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   91  13.03 +/- 2.55   0.147% *  0.3509% (0.97   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ALA   91   9.04 +/- 2.05   0.406% *  0.0907% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   91  11.42 +/- 0.95   0.062% *  0.3509% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  13.90 +/- 1.15   0.031% *  0.3440% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.40 +/- 0.65   0.198% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.95 +/- 1.23   0.030% *  0.2059% (0.57   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  21.31 +/- 1.61   0.002% *  0.3440% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  14.33 +/- 2.88   0.018% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  20.51 +/- 0.78   0.002% *  0.3564% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  15.87 +/- 1.16   0.009% *  0.0425% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  24.21 +/- 1.13   0.001% *  0.3636% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  17.96 +/- 1.52   0.005% *  0.0425% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  21.58 +/- 1.44   0.002% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  28.31 +/- 2.01   0.000% *  0.3357% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  20.33 +/- 1.54   0.002% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.58 +/- 1.05   0.002% *  0.0440% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.50 +/- 1.88   0.004% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.25 +/- 0.98   0.001% *  0.0415% (0.11   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  25.52 +/- 1.64   0.001% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.53 +/- 1.35   0.001% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.87 +/- 1.11   0.001% *  0.0254% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  30.41 +/- 1.80   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  18.97 +/- 1.40   0.002% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.12 +/- 1.45   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  25.68 +/- 2.27   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.6:
      O   QB    ALA   91 - HN    ALA   91   2.50 +/- 0.28  94.489% * 99.2924% (0.92  10.0   3.62  14.57) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.55 +/- 0.84   5.337% *  0.0055% (0.05   1.0   0.02   0.82) =   0.000%
          QG2   ILE   56 - HN    ALA   91   9.66 +/- 1.12   0.045% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.13 +/- 0.63   0.054% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.31 +/- 1.05   0.005% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.55 +/- 0.51   0.021% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  14.40 +/- 1.69   0.003% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.57 +/- 1.22   0.008% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.79 +/- 0.69   0.019% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  12.31 +/- 2.00   0.012% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  20.38 +/- 0.99   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.60 +/- 2.46   0.002% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.29 +/- 1.08   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  15.89 +/- 1.29   0.002% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.20 +/- 1.46   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.01 +/- 1.30   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  24.38 +/- 1.50   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.10 +/- 1.33   0.001% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.27 +/- 2.15   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  27.40 +/- 1.41   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 0.0198, residual support = 0.0198:
          HG2   GLU-  36 - HE22  GLN   32   8.70 +/- 1.26  70.021% *  7.7282% (0.20   0.02   0.02) =  50.047%  kept
          HB3   TRP   87 - HE22  GLN   90  10.35 +/- 1.00  28.279% * 18.6359% (0.49   0.02   0.02) =  48.741%  kept
          HG3   MET   96 - HE22  GLN   32  20.14 +/- 2.40   1.056% *  4.5337% (0.12   0.02   0.02) =   0.443%
          HG3   MET   96 - HE22  GLN   90  21.86 +/- 1.44   0.324% * 11.8170% (0.31   0.02   0.02) =   0.355%
          HG3   GLN  116 - HE22  GLN   90  27.37 +/- 3.27   0.137% * 21.6759% (0.57   0.02   0.02) =   0.276%
          HB3   TRP   87 - HE22  GLN   32  26.47 +/- 3.05   0.151% *  7.1499% (0.19   0.02   0.02) =   0.100%
          HG2   GLU-  36 - HE22  GLN   90  37.30 +/- 2.01   0.013% * 20.1433% (0.53   0.02   0.02) =   0.025%
          HG3   GLN  116 - HE22  GLN   32  35.81 +/- 2.18   0.019% *  8.3162% (0.22   0.02   0.02) =   0.015%
    Distance limit 5.50 A violated in 20 structures by 2.65 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 = 159.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.92 +/- 0.01  99.988% * 99.2019% (0.18  10.0   5.16 159.81) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  13.92 +/- 1.32   0.011% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  20.09 +/- 1.14   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.16 +/- 0.30  99.820% * 99.3899% (0.61  10.0   3.13  12.53) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  10.27 +/- 1.45   0.135% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  13.10 +/- 1.56   0.031% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  18.82 +/- 1.47   0.003% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.75 +/- 2.06   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.22 +/- 0.86   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  19.41 +/- 1.11   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  18.63 +/- 1.68   0.003% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.07 +/- 1.09   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.31 +/- 0.43  99.987% * 99.6785% (0.28  10.0   3.13  12.53) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  15.84 +/- 1.46   0.012% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.72 +/- 0.67   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 = 0.765, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  17.43 +/- 1.93  14.874% * 12.0512% (0.84   0.02   0.02) =  18.821%  kept
          QB    GLU-  15 - HN    LYS+ 102  17.40 +/- 1.28  12.253% * 13.6482% (0.95   0.02   0.02) =  17.560%  kept
          HB    ILE   19 - HN    LYS+ 102  16.71 +/- 1.19  14.618% * 11.0262% (0.76   0.02   0.02) =  16.925%  kept
          HG2   PRO   68 - HN    LYS+ 102  17.77 +/- 2.88  14.460% *  9.9106% (0.69   0.02   0.02) =  15.047%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.42 +/- 1.79  25.857% *  3.5976% (0.25   0.02   0.02) =   9.768%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.94 +/- 2.01   7.569% *  8.7509% (0.61   0.02   0.02) =   6.955%  kept
          HB3   GLU-  25 - HN    LYS+ 102  20.96 +/- 1.64   4.031% * 14.4279% (1.00   0.02   0.02) =   6.106%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  21.92 +/- 2.41   3.577% * 12.9393% (0.90   0.02   0.02) =   4.860%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.06 +/- 0.97   2.761% * 13.6482% (0.95   0.02   0.02) =   3.957%  kept
    Distance limit 4.45 A violated in 20 structures by 7.59 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 159.8:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.60 +/- 0.16  98.658% * 99.4444% (0.98  10.0   4.65 159.81) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   5.75 +/- 0.48   1.053% *  0.0455% (0.45   1.0   0.02  22.16) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.91 +/- 1.57   0.272% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.97 +/- 1.35   0.013% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.35 +/- 1.75   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.06 +/- 1.25   0.001% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.39 +/- 0.73   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  18.86 +/- 2.99   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.92 +/- 1.21   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.12 +/- 1.33   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 = 3.99, residual support = 126.7:
          HG2   LYS+ 102 - HN    LYS+ 102   3.56 +/- 0.54  67.104% * 59.9796% (0.28   4.42 159.81) =  78.932%  kept
          QB    LEU   98 - HN    LYS+ 102   4.26 +/- 1.01  32.765% * 32.7845% (0.28   2.41   2.59) =  21.066%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  13.28 +/- 2.65   0.060% *  0.5530% (0.57   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LYS+ 102  13.00 +/- 1.19   0.035% *  0.3666% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.40 +/- 1.66   0.014% *  0.7465% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.36 +/- 1.88   0.005% *  0.9746% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.42 +/- 2.15   0.006% *  0.5530% (0.57   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.73 +/- 0.80   0.003% *  0.9746% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.56 +/- 1.02   0.003% *  0.8760% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  24.10 +/- 5.03   0.002% *  0.9682% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.03 +/- 1.01   0.002% *  0.5139% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  23.84 +/- 3.95   0.001% *  0.7093% (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 = 0.365, support = 2.14, residual support = 1.97:
          QD1   LEU   98 - HN    LYS+ 102   3.94 +/- 0.92  49.192% * 65.5665% (0.18   2.79   2.59) =  75.081%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.12 +/- 0.67  42.447% * 25.0333% (0.95   0.20   0.11) =  24.735%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.31 +/- 1.59   7.927% *  0.9170% (0.34   0.02   0.02) =   0.169%
          QG1   VAL   43 - HN    LYS+ 102   9.22 +/- 1.16   0.402% *  1.4144% (0.53   0.02   0.02) =   0.013%
          QD1   ILE   19 - HN    LYS+ 102  15.06 +/- 1.43   0.019% *  2.6824% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  16.30 +/- 1.03   0.010% *  2.0545% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+ 102  19.16 +/- 0.94   0.004% *  2.3319% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.23, residual support = 38.6:
      O   HA    ILE   89 - HN    GLN   90   2.21 +/- 0.02  99.997% * 99.5753% (0.61  10.0   6.23  38.58) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.64 +/- 0.43   0.003% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  19.29 +/- 1.13   0.000% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  27.76 +/- 1.39   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  29.20 +/- 0.97   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  31.29 +/- 1.59   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 = 6.01, residual support = 95.3:
          QG    GLN   90 - HN    GLN   90   2.46 +/- 0.32  98.628% * 97.9291% (0.90   6.01  95.31) =  99.997%  kept
          HG3   MET   92 - HN    GLN   90   6.69 +/- 2.08   1.367% *  0.2202% (0.61   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLN   90  14.46 +/- 0.97   0.003% *  0.2637% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  20.42 +/- 1.07   0.000% *  0.3599% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  20.39 +/- 1.32   0.000% *  0.3033% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  23.50 +/- 1.61   0.000% *  0.2637% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  20.38 +/- 0.67   0.000% *  0.0905% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  25.88 +/- 1.48   0.000% *  0.2202% (0.61   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  28.04 +/- 1.67   0.000% *  0.2775% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  36.28 +/- 1.63   0.000% *  0.0719% (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 = 5.58, residual support = 95.3:
      O   HB3   GLN   90 - HN    GLN   90   3.17 +/- 0.41  95.285% * 99.1031% (0.92  10.0   5.58  95.31) =  99.998%  kept
          HB2   MET   92 - HN    GLN   90   6.19 +/- 1.46   4.532% *  0.0403% (0.38   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    GLN   90  10.19 +/- 0.79   0.103% *  0.1036% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.05 +/- 2.47   0.046% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90  14.35 +/- 1.05   0.015% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  14.79 +/- 1.19   0.013% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.30 +/- 0.60   0.001% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  21.37 +/- 1.46   0.001% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  21.67 +/- 1.38   0.001% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  24.32 +/- 1.11   0.001% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  20.93 +/- 1.70   0.002% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  29.57 +/- 2.02   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  30.83 +/- 1.66   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.09, residual support = 38.6:
          QG2   ILE   89 - HN    GLN   90   3.18 +/- 0.28 100.000% *100.0000% (0.65   7.09  38.58) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.67, residual support = 38.6:
          QD1   ILE   89 - HN    GLN   90   4.26 +/- 0.48  94.089% * 99.5293% (0.49   5.67  38.58) =  99.989%  kept
          QG2   VAL   83 - HN    GLN   90   7.16 +/- 0.72   5.386% *  0.1797% (0.25   0.02   0.02) =   0.010%
          QG2   VAL   75 - HN    GLN   90  10.70 +/- 1.35   0.493% *  0.1797% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    GLN   90  16.59 +/- 0.63   0.033% *  0.1112% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.16 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 7.05:
      O   HA    ALA   88 - HN    ILE   89   2.80 +/- 0.15  98.107% * 99.4024% (0.99  10.0   4.11   7.05) =  99.999%  kept
          HA    SER   48 - HN    ILE   89  11.71 +/- 2.89   0.407% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ILE   89   5.76 +/- 0.20   1.406% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   89   9.58 +/- 0.45   0.067% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  13.40 +/- 1.35   0.010% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  21.54 +/- 0.60   0.001% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  22.23 +/- 2.10   0.000% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  25.16 +/- 2.26   0.000% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  27.51 +/- 1.77   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  24.28 +/- 1.76   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  27.04 +/- 0.87   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  26.47 +/- 0.79   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  28.78 +/- 0.51   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 = 5.96, residual support = 214.4:
      O   HA    ILE   89 - HN    ILE   89   2.83 +/- 0.01  99.998% * 99.5011% (0.34  10.0   5.96 214.37) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  21.17 +/- 1.73   0.001% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  19.29 +/- 0.98   0.001% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  28.49 +/- 1.45   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  27.50 +/- 1.55   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  31.48 +/- 1.79   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.53, residual support = 214.4:
      O   HB    ILE   89 - HN    ILE   89   2.41 +/- 0.10  99.934% * 99.6919% (0.45  10.0   5.53 214.37) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   8.54 +/- 0.88   0.064% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  14.29 +/- 1.19   0.003% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  25.80 +/- 1.94   0.000% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.69, residual support = 214.4:
          HG12  ILE   89 - HN    ILE   89   2.41 +/- 0.39  99.836% * 97.8892% (0.76   5.69 214.37) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   7.44 +/- 0.73   0.160% *  0.1390% (0.31   0.02   7.83) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  15.11 +/- 0.92   0.003% *  0.3907% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  18.36 +/- 2.35   0.001% *  0.3094% (0.69   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  23.60 +/- 1.31   0.000% *  0.2914% (0.65   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  24.90 +/- 1.55   0.000% *  0.4040% (0.90   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  22.72 +/- 0.99   0.000% *  0.1390% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  27.67 +/- 1.93   0.000% *  0.3762% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  30.99 +/- 2.01   0.000% *  0.0610% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 6.3, residual support = 214.4:
          QG2   ILE   89 - HN    ILE   89   3.70 +/- 0.01  95.501% * 99.7846% (1.00   6.30 214.37) =  99.992%  kept
          QG1   VAL   83 - HN    ILE   89   6.62 +/- 0.76   4.497% *  0.1666% (0.53   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    ILE   89  21.59 +/- 1.50   0.003% *  0.0488% (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 = 5.48, residual support = 214.4:
          HG13  ILE   89 - HN    ILE   89   3.04 +/- 0.46 100.000% *100.0000% (0.90   5.48 214.37) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.4:
      O   HA    ALA   88 - HN    ALA   88   2.30 +/- 0.12  99.957% * 99.0917% (0.84  10.0   1.63  11.43) = 100.000%  kept
          HA    SER   48 - HN    ALA   88  14.31 +/- 3.21   0.026% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   88   9.94 +/- 0.74   0.016% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  15.90 +/- 1.44   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  23.52 +/- 2.52   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  24.27 +/- 0.75   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  26.45 +/- 2.74   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  29.13 +/- 2.22   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  26.69 +/- 1.84   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  28.82 +/- 1.14   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.96, residual support = 11.4:
      O   QB    ALA   88 - HN    ALA   88   2.58 +/- 0.17  97.851% * 99.1040% (0.73  10.0   1.96  11.43) =  99.999%  kept
          QB    ALA   84 - HN    ALA   88   5.11 +/- 0.52   2.017% *  0.0215% (0.15   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   88   8.28 +/- 0.49   0.101% *  0.0475% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88  10.32 +/- 0.87   0.029% *  0.0956% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  19.87 +/- 2.70   0.001% *  0.1248% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  17.71 +/- 0.61   0.001% *  0.0624% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  22.23 +/- 2.64   0.000% *  0.1162% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  21.27 +/- 3.03   0.000% *  0.0310% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  24.18 +/- 1.28   0.000% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  29.23 +/- 2.12   0.000% *  0.1391% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  32.33 +/- 2.18   0.000% *  0.1364% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  29.19 +/- 1.51   0.000% *  0.0429% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 74.0:
      O   HB2   TRP   87 - HN    TRP   87   3.91 +/- 0.06  99.911% * 99.8429% (0.73  10.0   3.84  74.01) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.51 +/- 1.84   0.082% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  20.14 +/- 0.98   0.006% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  26.92 +/- 2.10   0.001% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.9, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.88 +/- 0.23  99.942% * 97.4582% (0.80   3.90  22.47) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  12.18 +/- 1.21   0.040% *  0.3283% (0.53   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  17.31 +/- 2.61   0.003% *  0.6239% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.89 +/- 0.91   0.015% *  0.0963% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  23.56 +/- 1.81   0.000% *  0.6116% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.99 +/- 1.08   0.000% *  0.6021% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  25.72 +/- 2.39   0.000% *  0.2797% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 74.0:
      O   HB3   TRP   87 - HN    TRP   87   3.30 +/- 0.05  99.988% * 99.8532% (1.00  10.0   3.71  74.01) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  15.90 +/- 2.57   0.012% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  27.18 +/- 2.30   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.07 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.25, residual support = 5.33:
          QB    ALA   88 - HN    TRP   87   4.56 +/- 0.21  91.194% * 96.7000% (0.53   2.25   5.34) =  99.857%  kept
          QG2   THR   77 - HN    TRP   87   7.16 +/- 0.66   8.353% *  1.4633% (0.90   0.02   0.02) =   0.138%
          QG2   THR   23 - HN    TRP   87  12.05 +/- 1.88   0.432% *  0.8584% (0.53   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    TRP   87  19.51 +/- 1.61   0.017% *  0.3633% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  27.20 +/- 2.25   0.002% *  0.2518% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  30.15 +/- 2.25   0.001% *  0.3633% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 1 structures by 0.10 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.793, support = 2.19, residual support = 19.5:
          QD1   ILE   89 - HN    TRP   87   4.24 +/- 0.49  58.913% * 79.8721% (0.76   2.48  20.45) =  85.528%  kept
          QG2   VAL   83 - HN    TRP   87   4.59 +/- 0.33  41.050% * 19.3957% (0.97   0.48  13.56) =  14.471%  kept
          QD2   LEU   31 - HN    TRP   87  15.39 +/- 2.09   0.037% *  0.7321% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.546, support = 1.12, residual support = 16.0:
          QG2   VAL   83 - HE1   TRP   87   2.77 +/- 1.02  85.340% * 24.1482% (0.45   0.84  13.56) =  64.953%  kept
          QD1   ILE   89 - HE1   TRP   87   4.31 +/- 0.84  14.660% * 75.8518% (0.73   1.64  20.45) =  35.047%  kept
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.32, residual support = 13.4:
          QB    SER   85 - HN    ASP-  86   3.03 +/- 0.06  94.216% * 83.9904% (0.76   3.33  13.44) =  99.420%  kept
          HA    ALA   88 - HN    ASP-  86   5.29 +/- 0.36   3.543% * 12.9672% (0.69   0.57   0.02) =   0.577%  kept
          HB2   SER   82 - HN    ASP-  86   5.88 +/- 0.53   2.102% *  0.1018% (0.15   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  11.53 +/- 2.37   0.093% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  14.26 +/- 2.62   0.021% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  17.27 +/- 1.50   0.004% *  0.5915% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ASP-  86  13.47 +/- 2.25   0.020% *  0.1018% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  23.83 +/- 3.24   0.001% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  28.83 +/- 0.75   0.000% *  0.5509% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  29.83 +/- 1.04   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  31.03 +/- 1.94   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   3.29 +/- 0.10  99.987% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.79 +/- 0.99   0.004% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  18.03 +/- 1.97   0.007% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  21.88 +/- 2.44   0.001% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  24.21 +/- 1.14   0.001% *  0.9596% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  26.63 +/- 3.00   0.000% *  0.7909% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.98, residual support = 41.6:
      O   HB2   ASP-  86 - HN    ASP-  86   2.48 +/- 0.51  99.836% * 99.6258% (0.98  10.0   4.98  41.58) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  86  11.55 +/- 1.39   0.162% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  86  16.51 +/- 3.02   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.49 +/- 1.08   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  23.07 +/- 2.02   0.000% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  25.64 +/- 2.95   0.000% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.6:
      O   HB3   ASP-  86 - HN    ASP-  86   2.95 +/- 0.58  99.991% * 99.2823% (0.41  10.0   3.56  41.58) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  17.18 +/- 2.78   0.007% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  20.12 +/- 2.75   0.002% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  26.55 +/- 1.32   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  30.08 +/- 2.97   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 = 18.1:
      O   QB    SER   85 - HN    SER   85   2.16 +/- 0.06  98.866% * 99.3113% (0.76  10.0   3.15  18.12) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.95 +/- 0.47   0.756% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.57 +/- 0.18   0.350% *  0.0201% (0.15   1.0   0.02   2.00) =   0.000%
          QB    SER   48 - HN    SER   85  10.21 +/- 2.08   0.021% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  12.89 +/- 2.39   0.005% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.52 +/- 1.52   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  14.02 +/- 2.05   0.002% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  24.98 +/- 3.25   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  28.78 +/- 0.74   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  29.83 +/- 0.88   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  31.69 +/- 1.54   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 = 20.5:
      O   HA    ALA   84 - HN    SER   85   3.62 +/- 0.02  99.899% * 99.3529% (0.49  10.0   3.27  20.52) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  12.60 +/- 1.22   0.066% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  15.47 +/- 2.05   0.026% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  18.76 +/- 2.38   0.007% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  27.33 +/- 1.55   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  26.85 +/- 2.19   0.001% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.47 +/- 0.89   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.5:
          QB    ALA   84 - HN    SER   85   2.57 +/- 0.14  99.427% * 95.9087% (1.00   3.87  20.52) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.18 +/- 0.35   0.567% *  0.2616% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    SER   85  17.39 +/- 0.70   0.001% *  0.4972% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  16.96 +/- 1.01   0.001% *  0.3799% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  21.40 +/- 3.34   0.001% *  0.4798% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  17.55 +/- 1.39   0.001% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  22.02 +/- 2.64   0.000% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  20.84 +/- 3.16   0.001% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  23.90 +/- 1.41   0.000% *  0.3216% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  22.43 +/- 2.49   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  21.92 +/- 1.21   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  26.60 +/- 2.03   0.000% *  0.2420% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  29.93 +/- 1.68   0.000% *  0.4459% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  28.02 +/- 3.59   0.000% *  0.2044% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  25.97 +/- 3.02   0.000% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  27.92 +/- 1.15   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.98, residual support = 18.5:
      O   HA    ALA   84 - HN    ALA   84   2.84 +/- 0.02  99.925% * 99.3529% (0.49  10.0   3.98  18.54) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84  10.13 +/- 1.24   0.063% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  14.74 +/- 1.91   0.009% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.87 +/- 2.35   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  25.43 +/- 1.61   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  25.18 +/- 2.24   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.68 +/- 0.90   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 43.1:
          HB    VAL   83 - HN    ALA   84   3.08 +/- 0.16  99.954% * 97.8581% (0.99   5.35  43.09) = 100.000%  kept
          HB3   MET   92 - HN    ALA   84  13.25 +/- 2.03   0.023% *  0.0646% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   84  15.01 +/- 1.19   0.009% *  0.1517% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.90 +/- 0.67   0.006% *  0.1941% (0.53   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.57 +/- 1.15   0.005% *  0.0646% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  24.23 +/- 1.25   0.000% *  0.3560% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  23.75 +/- 2.70   0.001% *  0.2679% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  27.13 +/- 2.81   0.000% *  0.3656% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  26.63 +/- 2.33   0.000% *  0.3490% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.90 +/- 2.95   0.001% *  0.0920% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.95 +/- 3.12   0.001% *  0.0569% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  30.44 +/- 1.66   0.000% *  0.1796% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.31, residual support = 18.5:
      O   QB    ALA   84 - HN    ALA   84   2.06 +/- 0.06  97.555% * 99.0428% (0.87  10.0   4.31  18.54) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.16 +/- 0.68   2.442% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   84  15.74 +/- 0.86   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  15.20 +/- 1.39   0.001% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  14.72 +/- 1.15   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  19.67 +/- 3.26   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  20.66 +/- 2.57   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  19.72 +/- 1.21   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  19.07 +/- 2.99   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  21.72 +/- 1.51   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  23.91 +/- 2.80   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  25.33 +/- 2.10   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  26.63 +/- 3.39   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.60 +/- 1.16   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  28.40 +/- 1.69   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  28.10 +/- 2.03   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.689, support = 5.91, residual support = 42.8:
          QG1   VAL   83 - HN    ALA   84   3.93 +/- 0.48  89.227% * 93.4352% (0.69   5.95  43.09) =  99.347%  kept
          QD2   LEU   80 - HN    ALA   84   5.81 +/- 0.54  10.669% *  5.1312% (0.95   0.24   0.02) =   0.652%  kept
          QD1   LEU   73 - HN    ALA   84  13.26 +/- 1.65   0.079% *  0.2774% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  17.62 +/- 1.67   0.014% *  0.2774% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  19.70 +/- 1.81   0.007% *  0.4223% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  22.07 +/- 2.14   0.004% *  0.4564% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 6.37, residual support = 42.8:
          QG2   VAL   83 - HN    ALA   84   3.66 +/- 0.37  92.429% * 90.4395% (0.76   6.41  43.09) =  99.218%  kept
          QD1   ILE   89 - HN    ALA   84   6.11 +/- 0.62   7.231% *  9.1100% (0.49   1.01  12.43) =   0.782%  kept
          QG2   VAL   43 - HN    ALA   84  10.48 +/- 1.71   0.300% *  0.0822% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    ALA   84  14.56 +/- 2.38   0.040% *  0.3683% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 19.9:
          HB2   SER   82 - HN    VAL   83   3.24 +/- 0.23  99.587% * 97.0135% (0.75   4.10  19.95) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.60 +/- 0.34   0.317% *  0.2677% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  12.92 +/- 2.23   0.070% *  0.3787% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  17.47 +/- 3.12   0.006% *  0.4635% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  17.24 +/- 2.03   0.013% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  19.35 +/- 1.23   0.002% *  0.4687% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  21.43 +/- 3.52   0.002% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  23.55 +/- 2.98   0.001% *  0.4241% (0.68   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  24.77 +/- 1.97   0.001% *  0.2868% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.95 +/- 2.20   0.000% *  0.2868% (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 = 87.4:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.02  99.991% * 99.4506% (0.46  10.0   4.70  87.35) = 100.000%  kept
          HD3   PRO   52 - HN    VAL   83  18.30 +/- 2.44   0.005% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  16.82 +/- 0.99   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  18.67 +/- 2.78   0.002% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.09 +/- 1.07   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  24.90 +/- 3.13   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 = 87.4:
      O   HB    VAL   83 - HN    VAL   83   2.26 +/- 0.16  99.995% * 99.4176% (0.75  10.0   4.77  87.35) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.85 +/- 1.14   0.002% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.89 +/- 2.19   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.29 +/- 0.80   0.001% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  23.03 +/- 3.09   0.000% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.46 +/- 1.09   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  26.03 +/- 3.24   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.26 +/- 1.33   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  26.81 +/- 2.76   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.27 +/- 3.03   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.37 +/- 3.14   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.62 +/- 2.05   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.187, support = 0.0199, residual support = 0.0199:
          HB2   LEU   80 - HN    VAL   83   3.94 +/- 0.52  99.762% *  2.8578% (0.19   0.02   0.02) =  99.436%  kept
          HB3   LEU   73 - HN    VAL   83  14.25 +/- 1.71   0.066% *  9.9416% (0.65   0.02   0.02) =   0.228%
          HB3   LYS+  74 - HN    VAL   83  13.96 +/- 1.37   0.090% *  4.7118% (0.31   0.02   0.02) =   0.148%
          QB    LEU   98 - HN    VAL   83  17.37 +/- 2.79   0.022% *  7.8727% (0.52   0.02   0.02) =   0.061%
          HB    VAL   42 - HN    VAL   83  19.24 +/- 1.69   0.010% * 10.5799% (0.70   0.02   0.02) =   0.038%
          HG3   LYS+  33 - HN    VAL   83  22.20 +/- 3.32   0.005% * 11.0607% (0.73   0.02   0.02) =   0.020%
          HG3   LYS+ 106 - HN    VAL   83  20.76 +/- 2.97   0.008% *  7.4142% (0.49   0.02   0.02) =   0.020%
          HB3   PRO   93 - HN    VAL   83  16.91 +/- 1.06   0.027% *  1.7684% (0.12   0.02   0.02) =   0.017%
          HB2   LYS+ 112 - HN    VAL   83  26.67 +/- 2.23   0.003% *  8.7588% (0.58   0.02   0.02) =   0.008%
          HG3   LYS+  65 - HN    VAL   83  25.62 +/- 1.15   0.002% * 10.5799% (0.70   0.02   0.02) =   0.008%
          HG3   LYS+ 102 - HN    VAL   83  25.75 +/- 3.90   0.002% *  9.5730% (0.63   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    VAL   83  26.95 +/- 2.34   0.002% * 10.5799% (0.70   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    VAL   83  27.09 +/- 3.08   0.001% *  4.3014% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 1 structures by 0.24 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.746, support = 5.32, residual support = 87.0:
          QG1   VAL   83 - HN    VAL   83   2.36 +/- 0.38  96.613% * 89.0301% (0.75   5.34  87.35) =  99.648%  kept
          QD2   LEU   80 - HN    VAL   83   4.62 +/- 0.68   2.910% * 10.4219% (0.31   1.51   0.02) =   0.351%
          QG2   ILE   89 - HN    VAL   83   6.62 +/- 0.45   0.477% *  0.2041% (0.46   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  20.39 +/- 2.01   0.000% *  0.1263% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  21.63 +/- 2.58   0.000% *  0.2177% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.31, residual support = 87.3:
          QG2   VAL   83 - HN    VAL   83   3.61 +/- 0.16  98.013% * 99.3999% (0.74   5.31  87.35) =  99.993%  kept
          QD1   ILE   89 - HN    VAL   83   7.19 +/- 0.79   1.907% *  0.3685% (0.73   0.02   0.02) =   0.007%
          QD2   LEU   31 - HN    VAL   83  13.32 +/- 2.79   0.080% *  0.2316% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.32, residual support = 34.8:
      O   HB2   SER   82 - HN    SER   82   2.37 +/- 0.58  99.863% * 99.3063% (0.87  10.0   4.32  34.83) = 100.000%  kept
          HA    SER   48 - HN    SER   82  13.14 +/- 2.19   0.055% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   82   9.31 +/- 0.48   0.074% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  18.81 +/- 3.59   0.002% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.21 +/- 2.04   0.005% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.81 +/- 1.40   0.001% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  25.13 +/- 3.37   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  26.73 +/- 2.10   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  23.17 +/- 3.89   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  29.03 +/- 2.09   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  28.10 +/- 2.75   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.7, residual support = 34.8:
      O   HB3   SER   82 - HN    SER   82   2.94 +/- 0.31  99.947% * 99.2682% (0.69  10.0   3.70  34.83) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.69 +/- 0.23   0.049% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.20 +/- 2.41   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  20.13 +/- 3.19   0.002% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  27.03 +/- 3.07   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  25.97 +/- 2.38   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  26.96 +/- 2.48   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  29.44 +/- 2.08   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 = 5.09, residual support = 19.3:
          QB    LYS+  81 - HN    SER   82   3.16 +/- 0.15  99.948% * 96.7248% (0.97   5.09  19.31) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  12.71 +/- 0.98   0.028% *  0.3637% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  15.71 +/- 2.59   0.012% *  0.1479% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  19.17 +/- 2.35   0.003% *  0.3862% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  18.39 +/- 2.91   0.004% *  0.2073% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  21.05 +/- 2.80   0.002% *  0.3418% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  21.73 +/- 1.53   0.001% *  0.2861% (0.73   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.61 +/- 1.48   0.001% *  0.3418% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  24.17 +/- 3.46   0.001% *  0.2706% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  26.35 +/- 2.59   0.000% *  0.3011% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  30.29 +/- 3.49   0.000% *  0.2861% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  31.67 +/- 2.03   0.000% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  27.01 +/- 0.96   0.000% *  0.0877% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.09, residual support = 19.3:
          QG    LYS+  81 - HN    SER   82   4.31 +/- 0.50  99.985% * 98.7615% (0.25   5.09  19.31) = 100.000%  kept
          HG3   ARG+  54 - HN    SER   82  21.88 +/- 1.93   0.007% *  0.7579% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    SER   82  22.98 +/- 3.01   0.007% *  0.4806% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.91, support = 4.12, residual support = 17.2:
          QG1   VAL   83 - HN    SER   82   4.42 +/- 0.42  60.735% * 78.8325% (0.95   4.53  19.95) =  86.242%  kept
          QD2   LEU   80 - HN    SER   82   4.85 +/- 0.62  37.717% * 20.2460% (0.69   1.60   0.22) =  13.755%  kept
          QG2   ILE   89 - HN    SER   82   8.16 +/- 0.29   1.440% *  0.1256% (0.34   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    SER   82  13.81 +/- 2.15   0.091% *  0.1137% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  19.50 +/- 1.93   0.009% *  0.1137% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  22.06 +/- 1.92   0.004% *  0.2383% (0.65   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  23.67 +/- 2.61   0.003% *  0.3303% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 110.1:
      O   QB    LYS+  81 - HN    LYS+  81   2.27 +/- 0.17  99.992% * 99.1460% (0.97  10.0   5.29 110.14) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  12.19 +/- 1.16   0.005% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.65 +/- 2.37   0.001% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  19.88 +/- 2.14   0.000% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  18.88 +/- 3.05   0.000% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.28 +/- 1.55   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  21.52 +/- 2.89   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  22.03 +/- 1.53   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  25.46 +/- 3.20   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  26.97 +/- 2.35   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  31.01 +/- 3.55   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.96 +/- 1.10   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  31.41 +/- 1.73   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 110.1:
          QG    LYS+  81 - HN    LYS+  81   2.55 +/- 0.38  99.995% * 98.9723% (0.97   5.92 110.14) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  15.23 +/- 1.14   0.004% *  0.1183% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  23.89 +/- 2.83   0.000% *  0.3200% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  24.05 +/- 3.27   0.000% *  0.3280% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  25.12 +/- 1.90   0.000% *  0.1070% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  27.67 +/- 2.93   0.000% *  0.0772% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  30.11 +/- 2.80   0.000% *  0.0772% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.356, support = 5.48, residual support = 36.5:
          QD2   LEU   80 - HN    LYS+  81   4.55 +/- 1.08  24.397% * 77.0361% (0.53   5.68  36.53) =  54.320%  kept
          QD1   LEU   80 - HN    LYS+  81   3.58 +/- 0.71  75.502% * 20.9329% (0.15   5.26  36.53) =  45.679%  kept
          QD1   LEU   73 - HN    LYS+  81  14.17 +/- 2.22   0.055% *  0.4628% (0.90   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  81  19.32 +/- 1.82   0.006% *  0.4628% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  17.17 +/- 2.32   0.016% *  0.1435% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  21.12 +/- 1.67   0.003% *  0.4310% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  17.50 +/- 2.88   0.017% *  0.0796% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  21.82 +/- 1.85   0.003% *  0.2921% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  24.28 +/- 2.43   0.002% *  0.1593% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 3.0, residual support = 11.3:
          HB2   ASP-  78 - HN    GLU-  79   3.06 +/- 0.51  38.348% * 71.7472% (0.60   3.80  15.47) =  61.923%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.74 +/- 0.68  61.627% * 27.4525% (0.51   1.71   4.40) =  38.077%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.12 +/- 0.95   0.022% *  0.0522% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.99 +/- 1.75   0.002% *  0.1584% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.95 +/- 1.53   0.001% *  0.2028% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  18.76 +/- 1.72   0.001% *  0.1072% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.08 +/- 0.65   0.000% *  0.2798% (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 = 3.97, residual support = 54.1:
      O   HB2   GLU-  79 - HN    GLU-  79   2.48 +/- 0.31  99.977% * 98.3341% (0.09  10.0   3.97  54.09) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  14.48 +/- 2.41   0.018% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  14.04 +/- 1.70   0.004% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.12 +/- 1.31   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  22.00 +/- 1.08   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.83 +/- 1.32   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.94 +/- 1.38   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.87, residual support = 54.1:
      O   HB3   GLU-  79 - HN    GLU-  79   2.84 +/- 0.47  99.911% * 99.6469% (0.59  10.0   3.87  54.09) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  10.27 +/- 1.57   0.084% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  18.68 +/- 1.39   0.002% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  17.56 +/- 1.27   0.003% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  24.11 +/- 1.16   0.000% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.47 +/- 2.47   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 37.5:
      O   HB3   ASP-  78 - HN    ASP-  78   2.56 +/- 0.57  99.642% * 99.4250% (0.49  10.0   3.95  37.48) =  99.999%  kept
          QB    CYS   50 - HN    ASP-  78   8.99 +/- 1.40   0.246% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  74 - HN    ASP-  78   9.00 +/- 1.09   0.108% *  0.2002% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  16.07 +/- 0.94   0.004% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.53 +/- 0.92   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 4.85, residual support = 35.8:
      O   HB2   ASP-  78 - HN    ASP-  78   2.81 +/- 0.45  80.803% * 82.0427% (0.98  10.0   4.83  37.48) =  95.119%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.92 +/- 0.76  19.128% * 17.7834% (0.84   1.0   5.09   2.95) =   4.881%  kept
          HB2   ASP-  86 - HN    ASP-  78  10.89 +/- 0.92   0.064% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  17.20 +/- 1.40   0.002% *  0.0344% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  18.50 +/- 1.70   0.002% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  21.06 +/- 1.47   0.001% *  0.0440% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.32 +/- 0.69   0.000% *  0.0608% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.58, residual support = 27.7:
      O   HA    THR   77 - HN    ASP-  78   3.54 +/- 0.06  99.856% * 99.9219% (0.92  10.0   4.58  27.68) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  12.05 +/- 1.44   0.091% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  12.84 +/- 1.11   0.050% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  20.33 +/- 1.12   0.003% *  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 = 2.95:
          HA    ASP-  76 - HN    ASP-  78   3.73 +/- 0.28  99.998% * 99.6293% (0.95   2.34   2.95) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.12 +/- 1.08   0.002% *  0.3707% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.80 +/- 0.05  99.923% * 99.8846% (0.98  10.0   4.01  37.71) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  10.40 +/- 1.24   0.054% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.41 +/- 0.81   0.024% *  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 = 0.962, support = 3.56, residual support = 13.8:
          HB2   ASP-  76 - HN    THR   77   4.21 +/- 0.37  78.241% * 60.1810% (1.00   3.64  11.23) =  84.661%  kept
          HB2   ASP-  78 - HN    THR   77   5.35 +/- 0.52  21.712% * 39.2926% (0.76   3.10  27.68) =  15.339%  kept
          HB2   ASN   28 - HN    THR   77  16.06 +/- 1.06   0.031% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.79 +/- 1.45   0.009% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.19 +/- 0.70   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.72 +/- 1.17   0.005% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 11.2:
          HB3   ASP-  76 - HN    THR   77   4.18 +/- 0.42  95.632% * 95.2550% (0.57   3.64  11.23) =  99.979%  kept
          HG3   MET   92 - HN    THR   77  10.02 +/- 1.56   1.031% *  0.9250% (1.00   0.02   0.02) =   0.010%
          QG    GLN   90 - HN    THR   77   8.37 +/- 1.23   2.247% *  0.3155% (0.34   0.02   0.02) =   0.008%
          HB2   ASP-  44 - HN    THR   77   9.34 +/- 0.47   0.956% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    THR   77  14.44 +/- 0.74   0.072% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR   77  17.74 +/- 0.75   0.019% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.74 +/- 0.80   0.014% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.65 +/- 1.05   0.010% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  21.56 +/- 1.68   0.006% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.17 +/- 1.16   0.009% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  26.22 +/- 1.00   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.7:
          QG2   THR   77 - HN    THR   77   2.15 +/- 0.32  99.871% * 96.0809% (0.61   4.01  37.71) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.87 +/- 1.22   0.065% *  0.3246% (0.41   0.02   0.62) =   0.000%
          HB3   ASP-  44 - HN    THR   77   8.70 +/- 0.94   0.051% *  0.1758% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  10.49 +/- 0.57   0.011% *  0.7469% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  18.17 +/- 1.49   0.000% *  0.5108% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  15.68 +/- 1.07   0.001% *  0.2437% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  18.26 +/- 0.95   0.000% *  0.4470% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.26 +/- 0.68   0.000% *  0.7081% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.87 +/- 1.77   0.000% *  0.7620% (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 = 0.896, support = 1.22, residual support = 2.44:
          QB    ALA   47 - HN    THR   77   5.88 +/- 1.14  95.446% * 97.1221% (0.90   1.22   2.44) =  99.942%  kept
          QG1   VAL   42 - HN    THR   77  11.43 +/- 0.40   3.121% *  1.4187% (0.80   0.02   0.02) =   0.048%
          QB    ALA   64 - HN    THR   77  13.09 +/- 0.79   1.322% *  0.6649% (0.38   0.02   0.02) =   0.009%
          HG2   LYS+ 112 - HN    THR   77  19.15 +/- 1.96   0.111% *  0.7943% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 14 structures by 1.63 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  99.945% * 99.8428% (0.97  10.0   5.27  84.61) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.92 +/- 0.91   0.043% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.99 +/- 1.02   0.010% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.66 +/- 1.35   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 0.748:
          HB2   ASP-  44 - HN    VAL   75   4.41 +/- 0.42  97.203% * 87.0932% (0.87   0.75   0.75) =  99.938%  kept
          HB3   PHE   72 - HN    VAL   75   8.70 +/- 0.67   2.157% *  2.0462% (0.76   0.02   0.02) =   0.052%
          QG    GLN   90 - HN    VAL   75  12.93 +/- 1.04   0.196% *  1.8392% (0.69   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    VAL   75  15.14 +/- 1.16   0.070% *  2.5328% (0.95   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  12.48 +/- 1.20   0.261% *  0.4689% (0.18   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    VAL   75  17.07 +/- 1.72   0.039% *  2.2364% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.50 +/- 1.06   0.063% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  25.29 +/- 1.46   0.003% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  22.14 +/- 1.36   0.007% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.13 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 = 0.224, support = 4.27, residual support = 30.4:
          HB3   LYS+  74 - HN    VAL   75   4.16 +/- 0.21  92.434% * 42.7038% (0.20   4.41  31.87) =  95.374%  kept
          HG    LEU   73 - HN    VAL   75   7.43 +/- 0.66   3.774% * 50.1252% (0.76   1.34   0.39) =   4.571%  kept
          HG    LEU   80 - HN    VAL   75  10.54 +/- 2.87   0.868% *  0.8483% (0.87   0.02   0.44) =   0.018%
          HB2   LEU   80 - HN    VAL   75   9.23 +/- 2.33   1.682% *  0.3336% (0.34   0.02   0.44) =   0.014%
          QB    ALA   61 - HN    VAL   75  10.22 +/- 0.85   0.544% *  0.9586% (0.98   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    VAL   75  11.10 +/- 0.80   0.303% *  0.7474% (0.76   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    VAL   75  12.99 +/- 1.93   0.145% *  0.8169% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  14.87 +/- 1.01   0.051% *  0.9758% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.17 +/- 0.95   0.029% *  0.9028% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.55 +/- 1.20   0.055% *  0.2719% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  14.61 +/- 1.22   0.055% *  0.2719% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.54 +/- 1.40   0.042% *  0.1935% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.17 +/- 1.07   0.006% *  0.6326% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.12 +/- 1.51   0.012% *  0.2177% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.68, residual support = 31.9:
          HG2   LYS+  74 - HN    VAL   75   3.04 +/- 0.52  99.135% * 95.2194% (0.45   5.68  31.87) =  99.996%  kept
          QG2   ILE   56 - HN    VAL   75   9.87 +/- 1.56   0.192% *  0.6489% (0.87   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75   9.89 +/- 0.84   0.144% *  0.7219% (0.97   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75   8.59 +/- 0.89   0.377% *  0.2552% (0.34   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  11.27 +/- 0.73   0.065% *  0.5139% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  12.20 +/- 0.79   0.037% *  0.5139% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.59 +/- 0.76   0.019% *  0.7219% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  13.46 +/- 1.19   0.027% *  0.3075% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  21.80 +/- 2.57   0.002% *  0.7333% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.75 +/- 0.95   0.002% *  0.3641% (0.49   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 = 0.941, support = 4.54, residual support = 84.1:
      O   HB    VAL   75 - HN    VAL   75   2.69 +/- 0.47  93.976% * 86.0098% (0.95  10.0   4.52  84.61) =  98.994%  kept
          HG3   LYS+  74 - HN    VAL   75   4.48 +/- 0.32   5.963% * 13.7769% (0.49   1.0   6.23  31.87) =   1.006%  kept
          QD2   LEU   40 - HN    VAL   75  11.83 +/- 0.69   0.019% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  12.09 +/- 1.47   0.018% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.92 +/- 0.87   0.009% *  0.0551% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.83 +/- 1.29   0.014% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.641, support = 0.678, residual support = 1.44:
          QG2   THR   46 - HN    VAL   75   4.07 +/- 0.61  75.006% * 20.6192% (0.69   0.39   1.93) =  69.860%  kept
          QD2   LEU   73 - HN    VAL   75   6.43 +/- 1.00   9.509% * 53.3602% (0.41   1.70   0.39) =  22.920%  kept
          QG1   VAL   43 - HN    VAL   75   6.42 +/- 0.79   7.041% * 17.4748% (0.97   0.24   0.02) =   5.557%  kept
          QG2   VAL   18 - HN    VAL   75   6.28 +/- 0.63   7.209% *  4.9908% (0.80   0.08   0.02) =   1.625%  kept
          QG1   VAL   41 - HN    VAL   75  10.95 +/- 0.84   0.249% *  1.5253% (1.00   0.02   0.02) =   0.017%
          QD1   ILE   19 - HN    VAL   75   9.72 +/- 0.48   0.448% *  0.5214% (0.34   0.02   0.02) =   0.011%
          QD1   ILE   56 - HN    VAL   75  10.46 +/- 1.72   0.396% *  0.3025% (0.20   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   75  12.11 +/- 1.14   0.120% *  0.8655% (0.57   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    VAL   75  15.80 +/- 1.04   0.024% *  0.3403% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.02 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   3.46 +/- 0.25  99.943% * 99.6866% (0.92   5.27  84.61) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.81 +/- 1.46   0.057% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 5.17, residual support = 84.6:
          QG2   VAL   75 - HN    VAL   75   3.06 +/- 0.54  99.410% * 99.5327% (0.49   5.17  84.61) =  99.999%  kept
          QG2   VAL   42 - HN    VAL   75   8.79 +/- 1.22   0.375% *  0.2700% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    VAL   75   9.10 +/- 0.84   0.216% *  0.1973% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.699, support = 4.39, residual support = 185.3:
      O   HB3   LYS+  74 - HN    LYS+  74   2.76 +/- 0.23  75.153% * 95.4083% (0.71  10.0   4.37 187.29) =  98.673%  kept
          HB3   LEU   73 - HN    LYS+  74   3.46 +/- 0.50  24.115% *  3.9979% (0.11   1.0   5.42  40.74) =   1.327%  kept
          HG12  ILE   19 - HN    LYS+  74   6.90 +/- 0.74   0.503% *  0.0580% (0.43   1.0   0.02   8.32) =   0.000%
          HB2   LEU   80 - HN    LYS+  74  11.57 +/- 2.18   0.025% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.70 +/- 0.71   0.103% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  11.41 +/- 0.89   0.017% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74  12.10 +/- 3.07   0.026% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  10.46 +/- 0.95   0.029% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.06 +/- 1.17   0.008% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  12.90 +/- 1.00   0.009% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.88 +/- 1.85   0.003% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.70 +/- 1.61   0.002% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.76 +/- 1.30   0.005% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  19.54 +/- 1.91   0.001% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.77, residual support = 40.7:
          QD2   LEU   73 - HN    LYS+  74   4.02 +/- 0.22  99.457% * 97.2635% (0.20   5.77  40.74) =  99.998%  kept
          QD1   ILE   56 - HN    LYS+  74  12.73 +/- 1.53   0.137% *  0.6375% (0.37   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+  74  10.41 +/- 0.86   0.380% *  0.2122% (0.12   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  17.60 +/- 2.02   0.019% *  0.6860% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  19.86 +/- 1.23   0.008% *  1.2009% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.23 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.62, residual support = 40.7:
          HB2   LEU   73 - HN    LYS+  74   3.32 +/- 0.48  99.840% * 97.9302% (0.64   5.62  40.74) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  13.06 +/- 1.38   0.060% *  0.2199% (0.40   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  15.30 +/- 1.95   0.040% *  0.1325% (0.24   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.66 +/- 1.41   0.014% *  0.3850% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.56 +/- 1.03   0.010% *  0.3875% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  15.83 +/- 1.16   0.014% *  0.2968% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.35 +/- 1.12   0.014% *  0.1741% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.68 +/- 1.58   0.002% *  0.2513% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.01 +/- 1.41   0.002% *  0.1458% (0.27   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.18 +/- 1.07   0.004% *  0.0769% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HN    LYS+  74  10.14 +/- 1.09  33.187% * 15.4986% (0.71   0.02   0.02) =  51.575%  kept
          HB2   LEU   71 - HN    LYS+  74   9.45 +/- 0.64  47.716% *  5.8297% (0.27   0.02   0.02) =  27.894%  kept
          QB    LYS+  66 - HN    LYS+  74  14.38 +/- 0.61   3.906% * 14.9905% (0.68   0.02   0.02) =   5.871%  kept
          HG2   PRO   93 - HN    LYS+  74  15.49 +/- 1.70   3.524% * 11.8708% (0.54   0.02   0.02) =   4.195%  kept
          QB    LYS+  65 - HN    LYS+  74  13.24 +/- 0.80   6.524% *  6.3858% (0.29   0.02   0.02) =   4.177%  kept
          HG12  ILE  103 - HN    LYS+  74  15.61 +/- 1.07   2.329% * 14.6936% (0.67   0.02   0.02) =   3.431%  kept
          HB3   PRO   52 - HN    LYS+  74  18.28 +/- 1.78   1.130% * 11.2793% (0.51   0.02   0.02) =   1.278%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.79 +/- 0.65   1.049% *  8.1723% (0.37   0.02   0.02) =   0.860%  kept
          HG    LEU  123 - HN    LYS+  74  20.14 +/- 2.09   0.636% * 11.2793% (0.51   0.02   0.02) =   0.719%  kept
    Distance limit 4.51 A violated in 20 structures by 3.73 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.781, support = 4.59, residual support = 34.0:
          HB3   PHE   72 - HN    LEU   73   3.81 +/- 0.46  67.962% * 68.9998% (0.76   5.12  39.35) =  83.352%  kept
          HB2   ASP-  44 - HN    LEU   73   4.61 +/- 0.73  31.673% * 29.5693% (0.87   1.93   7.36) =  16.647%  kept
          QG    GLU-  15 - HN    LEU   73  10.57 +/- 1.45   0.255% *  0.3337% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  13.81 +/- 1.68   0.041% *  0.2947% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.42 +/- 1.23   0.040% *  0.1203% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  17.94 +/- 0.95   0.007% *  0.2423% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  21.48 +/- 1.28   0.002% *  0.3164% (0.90   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  16.77 +/- 1.48   0.010% *  0.0618% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  17.34 +/- 1.65   0.010% *  0.0618% (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 = 6.16, residual support = 170.7:
      O   HB2   LEU   73 - HN    LEU   73   3.45 +/- 0.43  99.566% * 99.3783% (0.99  10.0   6.16 170.69) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  12.97 +/- 1.58   0.103% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  12.90 +/- 0.88   0.051% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.53 +/- 1.26   0.102% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.64 +/- 1.51   0.026% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.50 +/- 1.14   0.017% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.28 +/- 0.88   0.057% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.68 +/- 2.03   0.054% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  17.18 +/- 1.57   0.010% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.12 +/- 1.09   0.012% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.56 +/- 1.65   0.003% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.417, support = 6.19, residual support = 163.1:
      O   HB3   LEU   73 - HN    LEU   73   3.21 +/- 0.38  80.103% * 63.5497% (0.41  10.0   6.32 170.69) =  95.373%  kept
          HB    VAL   42 - HN    LEU   73   4.43 +/- 0.68  16.558% * 12.9014% (0.49   1.0   3.43   1.21) =   4.002%  kept
          HB3   LYS+  74 - HN    LEU   73   6.45 +/- 0.40   1.470% * 22.6058% (0.87   1.0   3.37  40.74) =   0.623%  kept
          QB    LEU   98 - HN    LEU   73   8.37 +/- 0.95   0.416% *  0.1542% (1.00   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   73   7.54 +/- 1.27   1.285% *  0.0430% (0.28   1.0   0.02   4.00) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  12.21 +/- 1.50   0.041% *  0.0875% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  14.55 +/- 2.63   0.022% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.42 +/- 0.87   0.030% *  0.0752% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  15.45 +/- 2.05   0.011% *  0.1291% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.84 +/- 1.31   0.006% *  0.1427% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  15.18 +/- 3.56   0.021% *  0.0306% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.45 +/- 1.21   0.019% *  0.0344% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.82 +/- 1.56   0.011% *  0.0344% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.33 +/- 0.87   0.004% *  0.0580% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.49 +/- 1.48   0.002% *  0.0477% (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 = 0.973, support = 7.82, residual support = 168.8:
          QD2   LEU   73 - HN    LEU   73   2.58 +/- 0.69  83.996% * 82.3518% (0.98   7.86 170.69) =  98.851%  kept
          QG1   VAL   43 - HN    LEU   73   4.69 +/- 0.78   4.686% * 17.0469% (0.38   4.25   8.05) =   1.142%  kept
          QG2   VAL   18 - HN    LEU   73   5.00 +/- 0.97  10.751% *  0.0423% (0.20   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    LEU   73   6.62 +/- 0.81   0.488% *  0.1211% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   9.16 +/- 1.05   0.054% *  0.2134% (1.00   0.02   3.25) =   0.000%
          QD1   ILE   56 - HN    LEU   73  11.48 +/- 1.37   0.023% *  0.1712% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  15.74 +/- 1.26   0.002% *  0.0533% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.572, support = 5.71, residual support = 156.1:
          QD1   LEU   73 - HN    LEU   73   4.14 +/- 0.27  60.203% * 70.1975% (0.57   6.16 170.69) =  91.470%  kept
          QG2   VAL   41 - HN    LEU   73   5.09 +/- 1.23  27.792% * 11.7213% (0.61   0.96   0.02) =   7.051%  kept
          QD2   LEU   63 - HN    LEU   73   7.80 +/- 1.29   2.729% * 12.4652% (1.00   0.62   0.02) =   0.736%  kept
          QD1   LEU   63 - HN    LEU   73   7.33 +/- 1.51   6.656% *  5.0950% (0.57   0.45   0.02) =   0.734%  kept
          QD2   LEU   98 - HN    LEU   73   7.73 +/- 1.01   1.999% *  0.1655% (0.41   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    LEU   73  11.89 +/- 3.43   0.359% *  0.0896% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   73  13.38 +/- 3.49   0.159% *  0.1655% (0.41   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  12.56 +/- 1.55   0.104% *  0.1004% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 1.17, residual support = 0.948:
          QG1   VAL   42 - HN    LEU   73   4.10 +/- 0.61  88.913% * 23.9717% (0.45   0.93   1.21) =  72.098%  kept
          QB    ALA   64 - HN    LEU   73   6.09 +/- 0.48  10.972% * 75.1732% (0.73   1.79   0.28) =  27.900%  kept
          QB    ALA   47 - HN    LEU   73  13.10 +/- 0.35   0.105% *  0.6531% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    LEU   73  19.61 +/- 1.78   0.010% *  0.2020% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 1.92, residual support = 8.0:
          QG2   VAL   43 - HN    LEU   73   5.08 +/- 0.58  79.898% * 91.7494% (0.25   1.94   8.05) =  98.993%  kept
          QD2   LEU   31 - HN    LEU   73   6.85 +/- 1.05  18.824% *  3.7943% (1.00   0.02   3.25) =   0.965%  kept
          QG2   VAL   83 - HN    LEU   73  11.34 +/- 1.05   0.904% *  2.7552% (0.73   0.02   0.02) =   0.034%
          QD1   ILE   89 - HN    LEU   73  12.75 +/- 0.84   0.373% *  1.7011% (0.45   0.02   0.02) =   0.009%
    Distance limit 4.52 A violated in 2 structures by 0.41 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 4.99, residual support = 89.6:
      O   HB2   PHE   72 - HN    PHE   72   3.18 +/- 0.48  95.739% * 79.6532% (0.53  10.0   5.01  90.12) =  98.922%  kept
          HA    ALA   64 - HN    PHE   72   5.81 +/- 0.48   4.096% * 20.2935% (0.97   1.0   2.78  39.44) =   1.078%  kept
          HB3   ASN   69 - HN    PHE   72   9.78 +/- 0.59   0.153% *  0.0234% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.71 +/- 0.87   0.012% *  0.0300% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.18, residual support = 90.1:
      O   HB3   PHE   72 - HN    PHE   72   2.79 +/- 0.67  98.632% * 99.3598% (0.76  10.0   5.18  90.12) =  99.998%  kept
          QG    GLU-  15 - HN    PHE   72   6.84 +/- 1.56   0.774% *  0.1230% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    PHE   72   8.10 +/- 0.75   0.437% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72  10.71 +/- 1.65   0.128% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.39 +/- 1.34   0.019% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  18.06 +/- 1.20   0.003% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.69 +/- 1.69   0.006% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  21.57 +/- 1.02   0.001% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.64 +/- 1.59   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 3.86, residual support = 18.7:
          HG    LEU   71 - HN    PHE   72   4.80 +/- 0.70  45.039% * 90.1291% (0.99   4.07  19.81) =  94.536%  kept
          HG13  ILE   19 - HN    PHE   72   5.16 +/- 1.13  41.909% *  4.5883% (0.95   0.22   0.02) =   4.478%  kept
          QG2   THR   39 - HN    PHE   72   6.03 +/- 0.53  11.985% *  3.4995% (0.65   0.24   0.02) =   0.977%  kept
          HG2   LYS+  74 - HN    PHE   72   9.74 +/- 0.96   0.704% *  0.4453% (1.00   0.02   0.02) =   0.007%
          HG3   LYS+  99 - HN    PHE   72  13.57 +/- 1.20   0.112% *  0.4463% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    PHE   72  14.23 +/- 2.33   0.112% *  0.1675% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    PHE   72  13.63 +/- 1.47   0.106% *  0.0994% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.17 +/- 0.86   0.022% *  0.2887% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  21.27 +/- 1.15   0.006% *  0.1835% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.23 +/- 2.06   0.005% *  0.1522% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.11 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.954, support = 5.31, residual support = 20.1:
          QD2   LEU   71 - HN    PHE   72   3.21 +/- 0.47  79.883% * 91.2538% (0.97   5.38  19.81) =  98.296%  kept
          QD1   LEU   67 - HN    PHE   72   5.94 +/- 1.81  16.513% *  7.6283% (0.31   1.41  35.63) =   1.699%  kept
          QD2   LEU   40 - HN    PHE   72   7.25 +/- 1.17   3.382% *  0.0978% (0.28   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HN    PHE   72   9.84 +/- 0.86   0.137% *  0.1851% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  12.40 +/- 1.39   0.036% *  0.3395% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.21 +/- 1.08   0.026% *  0.3510% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.46 +/- 0.93   0.022% *  0.1446% (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 = 0.434, support = 1.49, residual support = 15.0:
          HA    VAL   18 - HN    PHE   72   3.69 +/- 0.77  82.883% * 26.9947% (0.31   1.50   6.99) =  74.292%  kept
          HA    VAL   70 - HN    PHE   72   5.76 +/- 0.38  11.136% * 69.1861% (0.80   1.48  38.18) =  25.583%  kept
          HA1   GLY   16 - HN    PHE   72   6.83 +/- 1.25   5.626% *  0.6142% (0.53   0.02   0.02) =   0.115%
          HB2   SER   37 - HN    PHE   72  10.67 +/- 0.97   0.226% *  1.0126% (0.87   0.02   0.02) =   0.008%
          HA    LYS+  33 - HN    PHE   72  12.55 +/- 0.80   0.081% *  0.5682% (0.49   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    PHE   72  14.18 +/- 0.52   0.035% *  0.3982% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    PHE   72  17.65 +/- 1.37   0.010% *  0.9348% (0.80   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    PHE   72  22.37 +/- 1.90   0.003% *  0.2911% (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 = 6.25, residual support = 32.8:
          HB    VAL   70 - HN    LEU   71   4.06 +/- 0.12  97.704% * 98.9311% (0.98   6.25  32.83) =  99.995%  kept
          QG    GLN   17 - HN    LEU   71   9.64 +/- 1.36   0.886% *  0.3221% (1.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    LEU   71  10.12 +/- 1.33   0.719% *  0.0897% (0.28   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    LEU   71  11.20 +/- 0.81   0.250% *  0.2088% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  10.62 +/- 1.47   0.420% *  0.0719% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.45 +/- 0.72   0.011% *  0.3199% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  18.87 +/- 0.71   0.010% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.35, residual support = 138.2:
      O   HB2   LEU   71 - HN    LEU   71   2.69 +/- 0.43  99.093% * 99.5111% (0.98  10.0   6.35 138.25) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.57 +/- 1.03   0.728% *  0.0455% (0.45   1.0   0.02   3.03) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.35 +/- 0.74   0.067% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.50 +/- 0.87   0.038% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  10.62 +/- 0.98   0.046% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.55 +/- 1.19   0.014% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  13.02 +/- 0.61   0.012% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.83 +/- 1.71   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.966, support = 5.48, residual support = 128.2:
          HG    LEU   71 - HN    LEU   71   3.97 +/- 0.68  23.136% * 96.0968% (0.99   5.89 138.25) =  92.743%  kept
          QG2   THR   39 - HN    LEU   71   3.05 +/- 1.05  76.343% *  2.2766% (0.65   0.21   0.21) =   7.250%  kept
          HG13  ILE   19 - HN    LEU   71   8.01 +/- 1.38   0.388% *  0.3114% (0.95   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    LEU   71  10.04 +/- 0.77   0.067% *  0.3292% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    LEU   71  10.87 +/- 1.86   0.045% *  0.1236% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LEU   71  13.40 +/- 0.86   0.011% *  0.3285% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  15.30 +/- 1.60   0.007% *  0.0733% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  19.30 +/- 0.91   0.001% *  0.2130% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  22.89 +/- 2.37   0.001% *  0.1123% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  23.29 +/- 0.93   0.000% *  0.1353% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.909, support = 5.93, residual support = 84.3:
          QG1   VAL   70 - HN    LEU   71   3.97 +/- 0.23  48.772% * 50.6438% (0.98   5.57  32.83) =  51.169%  kept
          QD1   LEU   71 - HN    LEU   71   3.95 +/- 0.58  48.331% * 48.7616% (0.84   6.30 138.25) =  48.822%  kept
          HB3   LEU   63 - HN    LEU   71   8.87 +/- 1.56   1.899% *  0.1274% (0.69   0.02   0.02) =   0.005%
          QG1   VAL   18 - HN    LEU   71   8.32 +/- 0.79   0.731% *  0.1854% (1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    LEU   71  11.72 +/- 2.14   0.159% *  0.1549% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU   71  12.06 +/- 1.19   0.090% *  0.0902% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.13 +/- 1.98   0.018% *  0.0367% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.45, residual support = 32.8:
          QG2   VAL   70 - HN    LEU   71   2.29 +/- 0.34 100.000% *100.0000% (0.73   6.45  32.83) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.6:
      O   HB    VAL   70 - HN    VAL   70   2.68 +/- 0.41  99.817% * 99.6297% (0.76  10.0   4.31  81.61) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   8.83 +/- 1.14   0.148% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  12.05 +/- 1.11   0.024% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.14 +/- 0.89   0.010% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.04 +/- 0.50   0.000% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.89 +/- 1.47   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.724, support = 0.471, residual support = 2.55:
          HB3   LEU   67 - HN    VAL   70   3.70 +/- 0.80  74.832% * 15.8692% (0.87   0.24   0.43) =  60.478%  kept
          HG    LEU   67 - HN    VAL   70   4.94 +/- 1.17  21.701% * 30.2853% (0.49   0.81   0.43) =  33.471%  kept
          HG    LEU   40 - HN    VAL   70   7.27 +/- 0.99   2.612% * 45.0921% (0.61   0.96  35.81) =   5.998%  kept
          QG    LYS+  66 - HN    VAL   70   8.98 +/- 0.89   0.385% *  1.5122% (0.98   0.02   0.02) =   0.030%
          HG    LEU   73 - HN    VAL   70  10.86 +/- 0.78   0.125% *  1.5291% (0.99   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    VAL   70  10.19 +/- 1.17   0.229% *  0.6342% (0.41   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    VAL   70  11.42 +/- 0.79   0.091% *  1.1203% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    VAL   70  17.15 +/- 2.01   0.012% *  1.4594% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.21 +/- 1.16   0.009% *  0.9357% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  19.09 +/- 1.36   0.004% *  0.7509% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  24.39 +/- 3.39   0.001% *  0.8117% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.83, residual support = 81.1:
          QG1   VAL   70 - HN    VAL   70   2.43 +/- 0.32  98.654% * 53.3677% (0.92   4.84  81.61) =  99.048%  kept
          QD1   LEU   71 - HN    VAL   70   6.31 +/- 1.09   1.101% * 45.9131% (1.00   3.84  32.83) =   0.951%  kept
          QD1   LEU  123 - HN    VAL   70  10.06 +/- 2.55   0.071% *  0.2388% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.46 +/- 1.04   0.125% *  0.0815% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    VAL   70   9.56 +/- 0.89   0.041% *  0.1995% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.05 +/- 1.83   0.007% *  0.1995% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.6:
          QG2   VAL   70 - HN    VAL   70   3.77 +/- 0.08 100.000% *100.0000% (0.98   3.89  81.61) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 59.7:
      O   HB2   ASN   69 - HD22  ASN   69   3.91 +/- 0.25  99.363% * 99.7633% (0.55  10.0   2.99  59.68) = 100.000%  kept
          QE    LYS+  66 - HD22  ASN   69  10.36 +/- 1.59   0.566% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  14.78 +/- 2.67   0.066% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.54 +/- 0.86   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.40 +/- 1.03   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  29.69 +/- 1.15   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.29, residual support = 26.2:
          QG1   VAL   70 - HD22  ASN   69   3.76 +/- 0.68  96.922% * 97.6048% (0.56   3.29  26.24) =  99.983%  kept
          QD1   LEU  123 - HD22  ASN   69   9.94 +/- 3.01   1.474% *  0.5622% (0.53   0.02   0.02) =   0.009%
          QD1   LEU   71 - HD22  ASN   69   8.98 +/- 1.00   1.157% *  0.5622% (0.53   0.02   0.02) =   0.007%
          HB3   LEU   63 - HD22  ASN   69  11.44 +/- 1.34   0.269% *  0.3127% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  13.29 +/- 1.11   0.075% *  0.5736% (0.54   0.02   0.02) =   0.000%
          HB3   LEU  104 - HD22  ASN   69  12.56 +/- 1.36   0.103% *  0.3845% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.06 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.98, residual support = 2.98:
          HA    LEU   67 - HN    ASN   69   3.87 +/- 0.70 100.000% *100.0000% (0.92   2.98   2.98) = 100.000%  kept
    Distance limit 4.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 32.5:
          HD2   PRO   68 - HN    ASN   69   2.92 +/- 0.50  99.961% * 99.1839% (0.80   5.97  32.53) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.53 +/- 1.16   0.035% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.90 +/- 1.05   0.002% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.65 +/- 0.44   0.002% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 32.5:
          HD3   PRO   68 - HN    ASN   69   3.75 +/- 0.49  99.969% * 98.4652% (0.99   5.97  32.53) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.16 +/- 1.22   0.021% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.16 +/- 0.99   0.004% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.76 +/- 1.45   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  23.62 +/- 1.72   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.44 +/- 1.59   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.612, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   9.01 +/- 1.04  28.745% * 39.8620% (0.87   0.02   0.02) =  52.615%  kept
          HA    ALA   64 - HN    ASN   69   7.45 +/- 1.11  70.585% * 14.1837% (0.31   0.02   0.02) =  45.972%  kept
          HB3   ASN   35 - HN    ASN   69  17.28 +/- 1.15   0.670% * 45.9543% (1.00   0.02   0.02) =   1.413%  kept
    Distance limit 3.88 A violated in 20 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.2:
          HB    VAL   70 - HN    ASN   69   4.33 +/- 0.58  98.689% * 89.1828% (0.15   3.84  26.24) =  99.985%  kept
          HB2   LYS+  38 - HN    ASN   69  12.77 +/- 1.27   0.209% *  2.9816% (0.99   0.02   0.02) =   0.007%
          QG    GLN   17 - HN    ASN   69   9.69 +/- 1.13   1.001% *  0.5953% (0.20   0.02   0.02) =   0.007%
          QB    GLU-  36 - HN    ASN   69  14.82 +/- 1.04   0.073% *  0.5268% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.99 +/- 1.57   0.008% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  20.37 +/- 0.94   0.011% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.27 +/- 0.49   0.004% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  30.28 +/- 1.19   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.13 +/- 1.18   0.004% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.907, support = 6.03, residual support = 32.5:
      O   HB3   PRO   68 - HN    ASN   69   4.17 +/- 0.41  25.782% * 95.4467% (0.99  10.0   6.04  32.53) =  90.210%  kept
          HG2   PRO   68 - HN    ASN   69   3.50 +/- 1.22  67.796% *  3.9329% (0.14   1.0   6.04  32.53) =   9.774%  kept
          QB    GLU-  15 - HN    ASN   69   6.55 +/- 1.26   6.096% *  0.0699% (0.73   1.0   0.02   0.02) =   0.016%
          HB2   GLN   17 - HN    ASN   69  11.83 +/- 1.06   0.131% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.84 +/- 1.57   0.038% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  11.92 +/- 0.90   0.085% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.72 +/- 1.62   0.021% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.79 +/- 1.25   0.013% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  15.17 +/- 1.32   0.017% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.80 +/- 2.39   0.009% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.13 +/- 2.56   0.003% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.23 +/- 1.80   0.007% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.83 +/- 0.47   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  24.89 +/- 1.19   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 32.5:
          HG3   PRO   68 - HN    ASN   69   3.86 +/- 0.47  99.640% * 92.7613% (0.38   5.49  32.53) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  12.21 +/- 1.31   0.125% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  13.22 +/- 1.49   0.090% *  0.5458% (0.61   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASN   69  15.18 +/- 0.82   0.034% *  0.7205% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.50 +/- 1.43   0.032% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  15.14 +/- 1.66   0.044% *  0.4380% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  19.87 +/- 1.34   0.007% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.97 +/- 1.01   0.013% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.81 +/- 1.04   0.009% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.01 +/- 1.34   0.002% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.28 +/- 1.34   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  28.67 +/- 1.19   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  30.16 +/- 1.31   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.724, support = 4.44, residual support = 26.1:
          QG1   VAL   70 - HN    ASN   69   3.22 +/- 0.64  93.670% * 87.7359% (0.73   4.46  26.24) =  99.302%  kept
          QD1   LEU   71 - HN    ASN   69   7.75 +/- 1.37   5.387% * 10.6556% (0.49   0.81   0.02) =   0.694%  kept
          HB3   LEU   63 - HN    ASN   69   9.46 +/- 1.25   0.456% *  0.5223% (0.97   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    ASN   69   9.62 +/- 2.27   0.339% *  0.2635% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  11.15 +/- 0.83   0.088% *  0.4521% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  13.77 +/- 1.68   0.051% *  0.1071% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  19.72 +/- 2.35   0.008% *  0.2635% (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 = 0.509, support = 4.05, residual support = 22.4:
          HA    VAL   24 - HE3   TRP   27   2.26 +/- 0.52  95.828% *  4.2210% (0.04   4.12  28.38) =  51.193%  kept
          HD2   PRO   68 - HN    LEU   67   4.55 +/- 0.53   4.064% * 94.8700% (1.00   3.98  16.22) =  48.801%  kept
          HA    ALA   61 - HN    LEU   67   7.82 +/- 0.56   0.101% *  0.4616% (0.97   0.02   0.02) =   0.006%
          HD3   PRO   58 - HN    LEU   67  14.08 +/- 0.61   0.003% *  0.1476% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  16.27 +/- 0.95   0.002% *  0.0580% (0.12   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  20.37 +/- 0.82   0.000% *  0.1632% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  19.88 +/- 1.57   0.001% *  0.0600% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.77 +/- 0.82   0.001% *  0.0186% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 4.2, residual support = 16.2:
          HD3   PRO   68 - HN    LEU   67   4.02 +/- 0.51  99.637% * 97.3279% (0.76   4.20  16.22) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.83 +/- 0.81   0.204% *  0.2496% (0.41   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    LEU   67  17.12 +/- 0.65   0.021% *  0.4170% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.59 +/- 1.42   0.014% *  0.5742% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.46 +/- 1.24   0.007% *  0.5950% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  19.97 +/- 1.85   0.008% *  0.4861% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  15.99 +/- 0.93   0.034% *  0.0722% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  16.09 +/- 0.64   0.031% *  0.0611% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  18.99 +/- 1.06   0.013% *  0.0524% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.61 +/- 0.93   0.018% *  0.0314% (0.05   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  20.35 +/- 1.15   0.008% *  0.0583% (0.10   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.79 +/- 0.95   0.004% *  0.0748% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.611, support = 2.05, residual support = 5.97:
          HA    ALA   64 - HN    LEU   67   3.80 +/- 0.56  89.787% * 20.7059% (0.65   0.98   3.60) =  69.970%  kept
          QE    LYS+  66 - HN    LEU   67   5.93 +/- 0.51  10.154% * 78.5805% (0.53   4.55  11.49) =  30.030%  kept
          HB3   ASN   35 - HN    LEU   67  20.84 +/- 1.02   0.004% *  0.5480% (0.84   0.02   0.02) =   0.000%
          HB3   ASN   35 - HE3   TRP   27  15.44 +/- 0.72   0.024% *  0.0689% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  15.41 +/- 0.76   0.027% *  0.0534% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  21.07 +/- 1.08   0.004% *  0.0434% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 4.87, residual support = 58.2:
      O   HB2   LEU   67 - HN    LEU   67   2.71 +/- 0.34  98.237% * 99.1951% (0.61  10.0   4.87  58.23) =  99.998%  kept
          HG2   PRO   68 - HN    LEU   67   6.16 +/- 0.58   1.344% *  0.1058% (0.65   1.0   0.02  16.22) =   0.001%
          HB    VAL   18 - HN    LEU   67   9.58 +/- 1.17   0.108% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.99 +/- 1.07   0.022% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   8.12 +/- 0.63   0.201% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.73 +/- 0.68   0.005% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27  10.01 +/- 1.01   0.054% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  15.45 +/- 1.51   0.004% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.84 +/- 1.70   0.003% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.42 +/- 0.85   0.015% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  16.99 +/- 0.92   0.002% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.44 +/- 1.03   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.35 +/- 0.89   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.64 +/- 1.78   0.002% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.30 +/- 0.79   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  21.36 +/- 1.43   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.01 +/- 0.76   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.41 +/- 0.91   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.937, support = 4.53, residual support = 10.9:
          QB    LYS+  66 - HN    LEU   67   3.58 +/- 0.45  81.342% * 78.2107% (0.95   4.69  11.49) =  95.060%  kept
          QB    LYS+  65 - HN    LEU   67   4.76 +/- 0.36  16.747% * 19.7277% (0.76   1.46   0.02) =   4.937%  kept
          HB2   LEU   71 - HN    LEU   67  10.50 +/- 1.13   0.355% *  0.2559% (0.73   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   67   9.84 +/- 2.58   0.427% *  0.1323% (0.38   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   67   9.62 +/- 1.28   0.466% *  0.0785% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HE3   TRP   27   9.56 +/- 1.30   0.419% *  0.0355% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  13.98 +/- 0.90   0.025% *  0.2822% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27  11.96 +/- 1.23   0.093% *  0.0322% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.59 +/- 1.40   0.006% *  0.3057% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.35 +/- 2.00   0.005% *  0.3493% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.69 +/- 1.69   0.056% *  0.0287% (0.08   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  18.43 +/- 1.38   0.005% *  0.2280% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  15.84 +/- 1.38   0.013% *  0.0384% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.46 +/- 0.97   0.010% *  0.0439% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.39 +/- 1.36   0.002% *  0.1323% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  18.48 +/- 0.94   0.005% *  0.0419% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  18.29 +/- 0.74   0.005% *  0.0339% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  16.51 +/- 0.73   0.011% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  19.21 +/- 1.56   0.005% *  0.0166% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.33 +/- 2.03   0.002% *  0.0166% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.588, support = 4.9, residual support = 55.5:
      O   HB3   LEU   67 - HN    LEU   67   3.42 +/- 0.52  47.780% * 38.7416% (0.25  10.0   4.22  58.23) =  50.222%  kept
          HG    LEU   67 - HN    LEU   67   3.76 +/- 0.70  37.160% * 43.6095% (1.00   1.0   5.63  58.23) =  43.967%  kept
          QG    LYS+  66 - HN    LEU   67   4.48 +/- 0.59  12.829% * 16.6911% (0.41   1.0   5.23  11.49) =   5.810%  kept
          HG    LEU   73 - HE3   TRP   27   6.52 +/- 0.90   1.573% *  0.0118% (0.08   1.0   0.02  23.92) =   0.001%
          HG    LEU   40 - HN    LEU   67  10.50 +/- 1.56   0.081% *  0.1540% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.87 +/- 0.51   0.364% *  0.0240% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.80 +/- 1.03   0.097% *  0.0697% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.69 +/- 1.28   0.042% *  0.1067% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  14.43 +/- 1.67   0.011% *  0.1540% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  13.05 +/- 0.97   0.016% *  0.0942% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  14.98 +/- 1.27   0.007% *  0.1067% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  14.32 +/- 1.41   0.011% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.69 +/- 2.17   0.001% *  0.1128% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  15.10 +/- 1.01   0.007% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  17.86 +/- 1.28   0.002% *  0.0195% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  18.09 +/- 1.70   0.002% *  0.0142% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.54 +/- 1.01   0.002% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  15.06 +/- 0.79   0.007% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  17.11 +/- 0.99   0.003% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.41 +/- 1.82   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.56 +/- 0.84   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  19.62 +/- 0.97   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 = 0.308, support = 4.06, residual support = 58.2:
          QD1   LEU   67 - HN    LEU   67   3.53 +/- 0.79  94.589% * 93.0246% (0.31   4.06  58.23) =  99.935%  kept
          QD2   LEU   71 - HN    LEU   67   8.29 +/- 1.19   2.477% *  1.4314% (0.97   0.02   0.02) =   0.040%
          QG2   ILE  119 - HN    LEU   67   8.09 +/- 1.41   1.249% *  1.4314% (0.97   0.02   0.02) =   0.020%
          QD2   LEU   40 - HN    LEU   67   9.54 +/- 1.08   0.489% *  0.4124% (0.28   0.02   0.02) =   0.002%
          QD1   ILE  103 - HE3   TRP   27  10.68 +/- 1.50   0.310% *  0.1860% (0.13   0.02   0.02) =   0.001%
          QD2   LEU   71 - HE3   TRP   27  11.19 +/- 0.81   0.187% *  0.1799% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  10.06 +/- 0.84   0.336% *  0.0981% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   67  14.25 +/- 1.19   0.035% *  0.7804% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  16.36 +/- 1.50   0.016% *  1.4799% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  15.43 +/- 1.24   0.022% *  0.6098% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  11.34 +/- 0.79   0.144% *  0.0518% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.69 +/- 1.21   0.084% *  0.0767% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  14.07 +/- 1.47   0.055% *  0.0575% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.91 +/- 1.02   0.009% *  0.1799% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.01, residual support = 25.5:
      O   HA    LYS+  65 - HN    LYS+  66   3.55 +/- 0.06  97.756% * 98.9277% (0.61  10.0   6.01  25.52) =  99.997%  kept
          HA2   GLY   16 - HN    LYS+  66   8.01 +/- 1.53   1.991% *  0.1120% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  66  11.05 +/- 1.48   0.153% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.46 +/- 1.68   0.048% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.18 +/- 1.52   0.037% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.18 +/- 1.37   0.009% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.15 +/- 1.06   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.28 +/- 0.87   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  27.40 +/- 0.72   0.000% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.61, residual support = 5.49:
          HA    LEU   63 - HN    LYS+  66   3.54 +/- 0.31  99.996% * 98.5935% (0.99   1.61   5.49) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.94 +/- 0.90   0.002% *  0.8511% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.79 +/- 1.49   0.002% *  0.5555% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.877, support = 3.89, residual support = 17.1:
          HA    ALA   64 - HN    LYS+  66   4.20 +/- 0.39  75.538% * 74.3424% (0.95   3.73   6.77) =  90.404%  kept
          QE    LYS+  66 - HN    LYS+  66   5.31 +/- 0.61  23.504% * 25.3586% (0.22   5.40 113.99) =   9.595%  kept
          HB2   PHE   72 - HN    LYS+  66   8.84 +/- 0.70   0.955% *  0.0938% (0.22   0.02   0.36) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  22.83 +/- 1.00   0.003% *  0.2052% (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 = 0.686, support = 5.1, residual support = 103.8:
      O   QB    LYS+  66 - HN    LYS+  66   2.32 +/- 0.30  77.588% * 68.6376% (0.65  10.0   5.00 113.99) =  88.501%  kept
          QB    LYS+  65 - HN    LYS+  66   2.90 +/- 0.24  22.377% * 30.9212% (0.99   1.0   5.88  25.52) =  11.499%  kept
          HB2   LEU   71 - HN    LYS+  66  12.24 +/- 1.42   0.015% *  0.1040% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  66  10.45 +/- 1.38   0.018% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  16.58 +/- 1.76   0.001% *  0.0952% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.28 +/- 0.59   0.001% *  0.0476% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.69 +/- 1.23   0.000% *  0.1059% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.13 +/- 1.21   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.378, support = 3.97, residual support = 81.8:
          QG    LYS+  66 - HN    LYS+  66   3.49 +/- 0.45  87.798% * 21.9144% (0.15   4.53 113.99) =  68.588%  kept
          HG    LEU   67 - HN    LYS+  66   5.68 +/- 0.98  11.765% * 74.8831% (0.87   2.76  11.49) =  31.404%  kept
          QB    ALA  120 - HN    LYS+  66  10.93 +/- 1.18   0.125% *  0.6048% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+  66  11.54 +/- 0.91   0.083% *  0.5018% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.93 +/- 1.40   0.079% *  0.4789% (0.76   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.71 +/- 1.52   0.053% *  0.4789% (0.76   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  13.10 +/- 0.97   0.034% *  0.6048% (0.97   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LYS+  66  13.90 +/- 0.70   0.026% *  0.1742% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.25 +/- 0.64   0.036% *  0.1240% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  21.97 +/- 2.21   0.002% *  0.2352% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.15 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.06, residual support = 6.77:
          QB    ALA   64 - HN    LYS+  66   4.40 +/- 0.20 100.000% *100.0000% (0.95   3.06   6.77) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 164.0:
      O   HA    LYS+  65 - HN    LYS+  65   2.81 +/- 0.05  99.525% * 99.3218% (0.64  10.0   6.08 164.04) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   7.66 +/- 1.40   0.445% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  12.86 +/- 1.29   0.013% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.16 +/- 1.39   0.005% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.20 +/- 1.44   0.003% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.08 +/- 1.15   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.36 +/- 1.20   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.66 +/- 1.10   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  18.90 +/- 1.10   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  25.93 +/- 0.62   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.77 +/- 0.87   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  27.21 +/- 0.89   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 = 4.63, residual support = 26.6:
      O   HA    ALA   64 - HN    LYS+  65   3.60 +/- 0.04  96.354% * 99.9016% (0.65  10.0   4.63  26.64) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   7.21 +/- 0.90   2.314% *  0.0235% (0.15   1.0   0.02  25.52) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.65 +/- 0.80   1.331% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  22.94 +/- 1.01   0.001% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.525, support = 6.59, residual support = 163.2:
      O   QB    LYS+  65 - HN    LYS+  65   2.25 +/- 0.12  98.136% * 78.1246% (0.53  10.0   6.63 164.04) =  99.501%  kept
          QB    LYS+  66 - HN    LYS+  65   4.46 +/- 0.26   1.801% * 21.3637% (0.65   1.0   4.42  25.52) =   0.499%
          HB3   GLN   17 - HN    LYS+  65   8.96 +/- 1.32   0.040% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.10 +/- 1.25   0.008% *  0.0742% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.09 +/- 1.90   0.011% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  15.57 +/- 1.82   0.002% *  0.1013% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.16 +/- 0.68   0.001% *  0.0819% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.46 +/- 1.04   0.000% *  0.0887% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.40 +/- 1.10   0.000% *  0.0661% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  18.31 +/- 1.10   0.000% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.136, support = 5.42, residual support = 163.3:
          HG2   LYS+  65 - HN    LYS+  65   2.88 +/- 0.54  98.654% * 67.8683% (0.14   5.44 164.04) =  99.553%  kept
          HG    LEU   67 - HN    LYS+  65   6.88 +/- 0.87   1.136% * 26.3294% (0.36   0.79   0.02) =   0.445%
          HB3   LEU   40 - HN    LYS+  65  12.34 +/- 0.96   0.032% *  1.2579% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  12.33 +/- 1.01   0.029% *  1.1926% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.27 +/- 0.70   0.041% *  0.6137% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  65  13.27 +/- 0.95   0.018% *  1.1926% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.63 +/- 1.42   0.031% *  0.5183% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.74 +/- 1.25   0.027% *  0.5183% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.07 +/- 2.45   0.026% *  0.1945% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.75 +/- 0.84   0.006% *  0.3144% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.199, support = 5.05, residual support = 150.8:
          HG3   LYS+  65 - HN    LYS+  65   3.20 +/- 0.37  92.590% * 43.6824% (0.17   5.31 164.04) =  91.860%  kept
          HB2   LEU   63 - HN    LYS+  65   5.13 +/- 0.27   7.056% * 50.7768% (0.50   2.12   1.46) =   8.137%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.68 +/- 0.85   0.085% *  0.5509% (0.58   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65   9.60 +/- 0.83   0.173% *  0.1645% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  13.79 +/- 1.38   0.028% *  0.6537% (0.68   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  65  13.68 +/- 0.83   0.018% *  0.6239% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.19 +/- 0.65   0.023% *  0.2036% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.30 +/- 1.23   0.005% *  0.6537% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.41 +/- 1.53   0.005% *  0.2712% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.92 +/- 1.37   0.004% *  0.3470% (0.36   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  20.37 +/- 0.60   0.002% *  0.6581% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.50 +/- 1.41   0.005% *  0.1155% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  19.82 +/- 1.43   0.002% *  0.2475% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.83 +/- 0.97   0.002% *  0.2957% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  19.46 +/- 1.87   0.003% *  0.1305% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  23.39 +/- 1.65   0.001% *  0.4000% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.17 +/- 1.61   0.001% *  0.2250% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.63, residual support = 26.6:
          QB    ALA   64 - HN    LYS+  65   2.64 +/- 0.20 100.000% *100.0000% (0.65   4.63  26.64) = 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 = 7.5:
          HA    ALA   61 - HN    ALA   64   3.44 +/- 0.15  99.242% * 95.1123% (0.95   0.75   7.50) =  99.984%  kept
          HD2   PRO   68 - HN    ALA   64   8.51 +/- 0.73   0.531% *  2.1470% (0.80   0.02   0.02) =   0.012%
          HD3   PRO   58 - HN    ALA   64   9.82 +/- 0.45   0.204% *  1.7345% (0.65   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    ALA   64  14.09 +/- 0.65   0.022% *  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 = 20.9:
      O   HA    ALA   64 - HN    ALA   64   2.83 +/- 0.04  98.156% * 99.9016% (0.95  10.0   4.23  20.86) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   6.04 +/- 0.80   1.635% *  0.0235% (0.22   1.0   0.02  39.44) =   0.000%
          QE    LYS+  66 - HN    ALA   64   8.13 +/- 0.71   0.208% *  0.0235% (0.22   1.0   0.02   6.77) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.58 +/- 1.05   0.001% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 4.68, residual support = 24.9:
          QB    LYS+  65 - HN    ALA   64   4.45 +/- 0.17  66.036% * 82.4284% (0.92   4.87  26.64) =  91.403%  kept
          QB    LYS+  66 - HN    ALA   64   5.14 +/- 0.63  31.594% * 16.1816% (0.34   2.59   6.77) =   8.585%  kept
          HB2   LEU   71 - HN    ALA   64  10.94 +/- 1.47   1.200% *  0.3466% (0.95   0.02   0.02) =   0.007%
          HB3   GLN   17 - HN    ALA   64   9.58 +/- 1.09   0.883% *  0.3060% (0.84   0.02   2.45) =   0.005%
          HG2   PRO   93 - HN    ALA   64  13.75 +/- 1.69   0.138% *  0.2222% (0.61   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    ALA   64  13.32 +/- 0.62   0.096% *  0.0725% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.87 +/- 0.93   0.016% *  0.3060% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.95 +/- 1.12   0.034% *  0.0725% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  23.51 +/- 1.04   0.003% *  0.0642% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.723, support = 6.71, residual support = 53.4:
          HB2   LEU   63 - HN    ALA   64   2.94 +/- 0.24  95.945% * 80.5858% (0.73   6.73  53.60) =  99.293%  kept
          HG3   LYS+  65 - HN    ALA   64   5.35 +/- 0.46   3.300% * 16.6438% (0.25   4.05  26.64) =   0.705%  kept
          HB3   ASP-  44 - HN    ALA   64   8.47 +/- 0.93   0.225% *  0.2754% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   7.56 +/- 0.78   0.412% *  0.0822% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  11.86 +/- 1.31   0.041% *  0.3269% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.51 +/- 0.78   0.013% *  0.3119% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.31 +/- 0.80   0.035% *  0.1018% (0.31   0.02   0.28) =   0.000%
          HG    LEU   98 - HN    ALA   64  15.17 +/- 1.25   0.006% *  0.3269% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.70 +/- 1.33   0.005% *  0.1735% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  16.26 +/- 1.39   0.004% *  0.1356% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  18.76 +/- 0.64   0.002% *  0.3290% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  17.99 +/- 1.54   0.002% *  0.1238% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.21 +/- 1.30   0.004% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  19.05 +/- 0.96   0.001% *  0.1478% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  21.54 +/- 2.14   0.001% *  0.2000% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  18.41 +/- 1.57   0.002% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.37 +/- 1.44   0.001% *  0.1125% (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 = 53.6:
          HG    LEU   63 - HN    ALA   64   4.72 +/- 0.61  82.667% * 98.6057% (0.53   6.86  53.60) =  99.969%  kept
          QD1   ILE  119 - HN    ALA   64   6.68 +/- 0.97  14.517% *  0.1082% (0.20   0.02   0.02) =   0.019%
          QG2   VAL  108 - HN    ALA   64  13.32 +/- 2.25   2.524% *  0.3315% (0.61   0.02   0.02) =   0.010%
          HG3   LYS+ 112 - HN    ALA   64  15.68 +/- 1.98   0.096% *  0.5045% (0.92   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  14.00 +/- 0.99   0.148% *  0.2450% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  16.87 +/- 1.03   0.048% *  0.2051% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.23 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.76, residual support = 53.6:
          HB3   LEU   63 - HN    ALA   64   3.32 +/- 0.39  93.406% * 99.3349% (0.97   6.76  53.60) =  99.989%  kept
          QG1   VAL   18 - HN    ALA   64   6.76 +/- 1.06   2.666% *  0.1603% (0.53   0.02   8.59) =   0.005%
          QG1   VAL  108 - HN    ALA   64  14.66 +/- 2.57   1.037% *  0.2439% (0.80   0.02   0.02) =   0.003%
          QG1   VAL   70 - HN    ALA   64   7.52 +/- 1.35   1.791% *  0.1252% (0.41   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    ALA   64   8.63 +/- 2.10   0.903% *  0.0678% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.16 +/- 1.66   0.198% *  0.0678% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.808, support = 6.1, residual support = 53.6:
          QD2   LEU   63 - HN    ALA   64   4.52 +/- 0.45  44.666% * 59.8765% (1.00   5.68  53.60) =  55.759%  kept
          QD1   LEU   63 - HN    ALA   64   4.37 +/- 0.63  53.579% * 39.6031% (0.57   6.63  53.60) =  44.239%  kept
          QD2   LEU  115 - HN    ALA   64   8.79 +/- 1.20   1.098% *  0.0526% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ALA   64  10.99 +/- 0.66   0.254% *  0.1280% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  11.00 +/- 0.54   0.251% *  0.1194% (0.57   0.02   0.28) =   0.001%
          QD2   LEU   98 - HN    ALA   64  13.05 +/- 1.19   0.108% *  0.0867% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  18.41 +/- 2.77   0.017% *  0.0867% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  16.83 +/- 2.50   0.027% *  0.0470% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.23, residual support = 20.9:
      O   QB    ALA   64 - HN    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.95  10.0   4.23  20.86) = 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 = 5.23, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.60 +/- 0.03  99.935% * 99.8321% (0.97  10.0   5.23  42.37) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.60 +/- 0.92   0.061% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  20.46 +/- 0.83   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  26.60 +/- 1.38   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 = 11.7:
          HA    PHE   60 - HN    LEU   63   3.50 +/- 0.21  99.647% * 92.4872% (0.69   1.50  11.67) =  99.996%  kept
          QB    SER  117 - HN    LEU   63  12.02 +/- 0.89   0.075% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LEU   63  10.63 +/- 1.13   0.182% *  0.6124% (0.34   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.92 +/- 0.92   0.046% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  13.44 +/- 1.30   0.037% *  1.2332% (0.69   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU   63  17.42 +/- 0.74   0.007% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.01 +/- 0.93   0.006% *  1.0164% (0.57   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 = 7.44, residual support = 240.2:
      O   HA    LEU   63 - HN    LEU   63   2.79 +/- 0.03  99.999% * 99.8508% (0.76  10.0   7.44 240.22) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.42 +/- 1.39   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.75 +/- 1.13   0.000% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.23, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.37 +/- 0.55  99.961% * 99.7485% (0.98   5.23  42.37) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  14.21 +/- 0.88   0.027% *  0.0770% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  16.19 +/- 1.00   0.012% *  0.1745% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   2.91 +/- 0.40  99.991% * 98.9493% (0.95   5.23  42.37) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.82 +/- 1.13   0.008% *  0.3693% (0.92   0.02   0.88) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  24.71 +/- 1.73   0.000% *  0.2905% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  24.44 +/- 1.62   0.000% *  0.2265% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.37 +/- 1.30   0.000% *  0.1645% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.81, residual support = 240.2:
      O   HB2   LEU   63 - HN    LEU   63   2.10 +/- 0.10  99.764% * 98.8228% (0.73  10.0   7.81 240.22) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.36 +/- 0.71   0.170% *  0.0339% (0.25   1.0   0.02   1.46) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.90 +/- 1.29   0.023% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  10.71 +/- 1.14   0.008% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.70 +/- 0.78   0.025% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.41 +/- 0.82   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.79 +/- 1.36   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  12.98 +/- 1.13   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.79 +/- 1.31   0.002% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.05 +/- 1.11   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.02 +/- 1.54   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  18.99 +/- 0.73   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.04 +/- 1.35   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.66 +/- 1.03   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  22.42 +/- 2.30   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.71 +/- 1.58   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.55 +/- 1.52   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 = 7.39, residual support = 240.2:
          HG    LEU   63 - HN    LEU   63   3.18 +/- 0.39  99.576% * 99.4925% (1.00   7.39 240.22) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.45 +/- 0.94   0.382% *  0.0472% (0.18   0.02   0.14) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  13.31 +/- 1.86   0.038% *  0.1959% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  17.93 +/- 1.07   0.004% *  0.2644% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.46, residual support = 240.2:
      O   HB3   LEU   63 - HN    LEU   63   3.38 +/- 0.10  96.015% * 99.7743% (0.97  10.0   7.46 240.22) =  99.998%  kept
          QG1   VAL  108 - HN    LEU   63  13.67 +/- 2.28   0.721% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   63   7.51 +/- 1.90   1.837% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU   63   8.46 +/- 1.17   0.625% *  0.0544% (0.53   1.0   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU   63   8.59 +/- 1.25   0.590% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.87 +/- 2.19   0.211% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.878, support = 6.85, residual support = 240.2:
          QD1   LEU   63 - HN    LEU   63   3.37 +/- 0.51  69.564% * 48.0303% (0.90   6.55 240.22) =  69.557%  kept
          QD2   LEU   63 - HN    LEU   63   4.05 +/- 0.24  28.393% * 51.4979% (0.84   7.54 240.22) =  30.439%  kept
          QD2   LEU  115 - HN    LEU   63   6.78 +/- 1.15   1.906% *  0.0926% (0.57   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU   63  12.39 +/- 0.78   0.036% *  0.1467% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.32 +/- 0.96   0.039% *  0.0505% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.22 +/- 0.71   0.034% *  0.0455% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.73 +/- 1.26   0.020% *  0.0252% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  17.74 +/- 2.52   0.006% *  0.0861% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  19.33 +/- 2.74   0.004% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.92 +/- 0.41  99.983% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.36 +/- 0.83   0.006% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.42 +/- 1.04   0.011% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.10 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   2.24 +/- 0.18  99.999% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.65 +/- 1.12   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  25.04 +/- 1.28   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.76 +/- 1.81   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.82 +/- 1.22   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.387, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   5.92 +/- 0.79  88.840% *  5.0993% (0.32   0.02   0.02) =  81.658%  kept
          HG    LEU  123 - HN    ASP-  62  10.91 +/- 1.44   4.704% * 12.8527% (0.82   0.02   0.02) =  10.898%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.96 +/- 0.80   1.641% *  7.6923% (0.49   0.02   0.02) =   2.276%  kept
          HG3   PRO   68 - HN    ASP-  62  12.68 +/- 0.96   1.037% *  8.7895% (0.56   0.02   0.02) =   1.642%  kept
          HB3   PRO   52 - HN    ASP-  62  14.44 +/- 0.89   0.503% * 12.8527% (0.82   0.02   0.02) =   1.166%  kept
          HG2   PRO   93 - HN    ASP-  62  12.08 +/- 1.57   1.722% *  2.3795% (0.15   0.02   0.02) =   0.738%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.85 +/- 1.10   0.476% *  7.1484% (0.45   0.02   0.02) =   0.613%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.15 +/- 0.91   0.574% *  3.3879% (0.21   0.02   0.02) =   0.350%
          HB    VAL   41 - HN    ASP-  62  16.78 +/- 0.71   0.217% *  7.6923% (0.49   0.02   0.02) =   0.301%
          HG12  ILE  103 - HN    ASP-  62  19.57 +/- 1.05   0.080% *  9.8662% (0.63   0.02   0.02) =   0.142%
          HB    ILE  103 - HN    ASP-  62  20.80 +/- 0.94   0.054% *  8.2409% (0.52   0.02   0.02) =   0.081%
          QB    LYS+  33 - HN    ASP-  62  19.84 +/- 0.93   0.069% *  5.5858% (0.35   0.02   0.02) =   0.069%
          HB3   GLN   90 - HN    ASP-  62  21.20 +/- 1.75   0.056% *  4.6346% (0.29   0.02   0.02) =   0.047%
          QB    LYS+  81 - HN    ASP-  62  23.48 +/- 1.10   0.028% *  3.7777% (0.24   0.02   0.02) =   0.019%
    Distance limit 4.32 A violated in 17 structures by 1.46 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.32:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.12  99.027% * 94.7960% (0.80   2.79   8.32) =  99.995%  kept
          QG    LYS+  66 - HN    ASP-  62   6.77 +/- 1.03   0.837% *  0.4468% (0.52   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ASP-  62   9.79 +/- 0.87   0.066% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.65 +/- 2.01   0.028% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.50 +/- 1.94   0.014% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.90 +/- 1.13   0.013% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  15.24 +/- 1.30   0.005% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.42 +/- 0.75   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.01 +/- 0.97   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  22.73 +/- 2.14   0.000% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.35 +/- 1.83   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.76 +/- 1.97   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.851, support = 1.57, residual support = 3.38:
          QB    LYS+  65 - HN    LEU   63   4.83 +/- 0.33  43.996% * 55.0217% (0.76   1.93   1.46) =  52.406%  kept
          QB    LYS+  66 - HN    LEU   63   4.74 +/- 0.79  53.270% * 41.2495% (0.95   1.17   5.49) =  47.571%  kept
          HG    LEU  123 - HN    LEU   63   9.54 +/- 1.78   1.583% *  0.2796% (0.38   0.02   0.02) =   0.010%
          HB2   LEU   71 - HN    LEU   63  12.89 +/- 1.92   0.639% *  0.5409% (0.73   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    LEU   63  12.37 +/- 1.44   0.184% *  0.7383% (0.99   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LEU   63  12.12 +/- 1.15   0.195% *  0.1658% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.68 +/- 0.76   0.054% *  0.5965% (0.80   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   63  15.17 +/- 1.09   0.046% *  0.2796% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.14 +/- 0.92   0.015% *  0.6462% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.44 +/- 1.12   0.019% *  0.4819% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.99, residual support = 41.9:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.01  99.792% * 99.3945% (0.69  10.0   4.99  41.93) = 100.000%  kept
          HB    THR   94 - HN    ALA   61  12.78 +/- 1.46   0.073% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    ALA   61  13.97 +/- 0.71   0.033% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.11 +/- 0.96   0.033% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.97 +/- 1.07   0.035% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.18 +/- 0.98   0.021% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.36 +/- 0.95   0.013% *  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 = 2.76, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.82 +/- 0.04  98.335% * 99.8077% (0.95  10.0   2.76  17.99) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.66 +/- 0.37   1.646% *  0.0683% (0.65   1.0   0.02   1.04) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.93 +/- 0.87   0.012% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.80 +/- 0.84   0.008% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 41.9:
          HB2   PHE   60 - HN    ALA   61   2.57 +/- 0.29  99.924% * 99.4686% (0.84   4.91  41.93) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.43 +/- 1.32   0.075% *  0.0961% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  22.63 +/- 1.01   0.000% *  0.4353% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 41.9:
          HB3   PHE   60 - HN    ALA   61   3.52 +/- 0.52  99.946% * 99.1913% (0.98   4.99  41.93) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.87 +/- 1.48   0.016% *  0.3516% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  15.07 +/- 1.56   0.024% *  0.1667% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.44 +/- 0.82   0.013% *  0.1521% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.67 +/- 1.25   0.001% *  0.1383% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.06 +/- 0.09  99.945% * 99.0576% (0.73  10.0   4.02  17.99) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.79 +/- 0.88   0.022% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.59 +/- 0.95   0.013% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.96 +/- 0.87   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  10.95 +/- 2.28   0.008% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.29 +/- 0.84   0.004% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.51 +/- 0.84   0.001% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.95 +/- 1.36   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  14.50 +/- 1.25   0.001% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  20.63 +/- 1.91   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.11 +/- 1.78   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 = 6.09, residual support = 40.5:
          HD3   PRO   58 - HN    PHE   59   2.38 +/- 0.31  99.783% * 99.4989% (0.76   6.09  40.47) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.05 +/- 0.21   0.212% *  0.1137% (0.26   0.02   0.50) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.27 +/- 0.95   0.002% *  0.3215% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.93 +/- 1.22   0.003% *  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 = 58.2:
      O   HB2   PHE   59 - HN    PHE   59   2.39 +/- 0.46  99.417% * 99.5977% (0.76  10.0   4.37  58.17) =  99.999%  kept
          QB    PHE   55 - HN    PHE   59   6.65 +/- 0.22   0.415% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.30 +/- 0.82   0.107% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.09 +/- 0.96   0.039% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  10.56 +/- 1.36   0.019% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.30 +/- 1.36   0.003% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.2:
      O   HB3   PHE   59 - HN    PHE   59   2.54 +/- 0.45  99.855% * 99.9594% (0.67  10.0   4.98  58.17) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.50 +/- 1.23   0.143% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  16.65 +/- 1.07   0.002% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.59, residual support = 40.5:
      O   HB2   PRO   58 - HN    PHE   59   3.47 +/- 0.50  99.489% * 98.5251% (0.19  10.0   6.59  40.47) =  99.998%  kept
          HB2   GLN  116 - HN    PHE   59   9.59 +/- 1.11   0.482% *  0.3300% (0.64   1.0   0.02   0.40) =   0.002%
          HB3   PHE   97 - HN    PHE   59  15.39 +/- 1.31   0.020% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  18.59 +/- 1.44   0.007% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.89 +/- 1.39   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.69 +/- 1.20   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.29, residual support = 40.5:
          HG2   PRO   58 - HN    PHE   59   2.87 +/- 0.30  99.543% * 98.7271% (0.76   6.29  40.47) =  99.999%  kept
          HB2   PRO   93 - HN    PHE   59   8.44 +/- 1.19   0.301% *  0.1316% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.11 +/- 0.41   0.125% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  12.56 +/- 0.69   0.018% *  0.3137% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  13.90 +/- 1.63   0.010% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.45 +/- 1.19   0.002% *  0.0890% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  22.71 +/- 1.66   0.001% *  0.3193% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  32.09 +/- 1.68   0.000% *  0.3200% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.688, support = 6.25, residual support = 40.3:
      O   HB3   PRO   58 - HN    PHE   59   4.06 +/- 0.31  70.226% * 97.6194% (0.69  10.0   6.29  40.47) =  99.127%  kept
          HB    ILE   56 - HN    PHE   59   4.93 +/- 0.84  29.667% *  2.0356% (0.19   1.0   1.50  20.76) =   0.873%  kept
          HB2   MET   92 - HN    PHE   59  13.64 +/- 1.50   0.062% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.67 +/- 1.28   0.037% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.10 +/- 0.91   0.004% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.99 +/- 1.59   0.003% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  24.89 +/- 1.77   0.002% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  32.23 +/- 1.56   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.12 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.8:
          QG1   ILE   56 - HN    PHE   59   3.70 +/- 0.40  99.611% * 97.7319% (0.67   4.26  20.76) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.73 +/- 1.53   0.153% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.64 +/- 1.14   0.038% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.55 +/- 1.50   0.067% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  12.97 +/- 1.19   0.089% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.18 +/- 1.24   0.021% *  0.3205% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.65 +/- 1.30   0.009% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.46 +/- 1.20   0.007% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  19.07 +/- 0.98   0.006% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.355, support = 0.02, residual support = 1.92:
          HA    ALA   61 - HN    ALA   57   8.92 +/- 0.68  97.855% * 14.7090% (0.34   0.02   2.00) =  95.994%  kept
          HD2   PRO   68 - HN    ALA   57  18.47 +/- 1.24   1.406% * 22.6869% (0.53   0.02   0.02) =   2.127%  kept
          HA    VAL   24 - HN    ALA   57  21.11 +/- 0.81   0.614% * 41.6148% (0.97   0.02   0.02) =   1.703%  kept
          HA    LYS+  38 - HN    ALA   57  27.32 +/- 1.12   0.125% * 20.9893% (0.49   0.02   0.02) =   0.176%
    Distance limit 3.54 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.404, support = 0.204, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   6.39 +/- 0.81  42.677% * 86.4189% (0.41   0.22   0.02) =  91.534%  kept
          HB3   CYS   53 - HN    ALA   57   6.31 +/- 0.66  46.045% *  6.4870% (0.34   0.02   0.02) =   7.413%  kept
          HD3   PRO   93 - HN    ALA   57   8.58 +/- 1.45  11.184% *  3.7635% (0.20   0.02   0.02) =   1.045%  kept
          HD3   PRO   68 - HN    ALA   57  17.87 +/- 1.26   0.094% *  3.3305% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.51 A violated in 9 structures by 0.90 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 4.79, residual support = 29.1:
          HB    ILE   56 - HN    ALA   57   4.50 +/- 0.18  74.087% * 25.6657% (0.25   5.34  33.01) =  51.066%  kept
          HB3   PRO   58 - HN    ALA   57   5.44 +/- 0.30  24.918% * 73.1118% (0.90   4.23  25.09) =  48.927%  kept
          HB2   MET   92 - HN    ALA   57  11.91 +/- 1.82   0.941% *  0.2801% (0.73   0.02   0.02) =   0.007%
          HB3   MET   96 - HN    ALA   57  15.89 +/- 1.28   0.043% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  22.45 +/- 0.81   0.005% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  23.84 +/- 1.65   0.004% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.86 +/- 1.87   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  34.39 +/- 1.71   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.11 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.05 +/- 0.05  99.991% * 99.4737% (0.92  10.0   4.87  24.32) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.87 +/- 1.07   0.004% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.80 +/- 0.89   0.003% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  13.36 +/- 1.27   0.002% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.33 +/- 1.74   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.35 +/- 1.04   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.46 +/- 0.96   0.000% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  24.29 +/- 1.58   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  25.76 +/- 2.08   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 = 33.0:
          QG2   ILE   56 - HN    ALA   57   3.66 +/- 0.26  99.292% * 97.4851% (0.87   5.34  33.01) =  99.997%  kept
          QB    ALA   91 - HN    ALA   57  10.27 +/- 2.01   0.601% *  0.4064% (0.97   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    ALA   57  12.30 +/- 1.23   0.083% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  19.13 +/- 0.94   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  19.91 +/- 1.55   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.95 +/- 0.81   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  19.17 +/- 1.08   0.005% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  21.07 +/- 1.68   0.004% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.87 +/- 1.49   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.09 +/- 2.40   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.7:
      O   HB2   ASN   69 - HD21  ASN   69   3.09 +/- 0.49  99.843% * 99.6854% (0.36  10.0   3.63  59.68) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.33 +/- 1.21   0.150% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  16.21 +/- 1.89   0.006% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.84 +/- 0.89   0.000% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  29.04 +/- 1.26   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 26.2:
          QG1   VAL   70 - HD21  ASN   69   3.53 +/- 0.76  97.967% * 97.4966% (0.32   4.15  26.24) =  99.992%  kept
          QD1   LEU   71 - HD21  ASN   69   8.39 +/- 1.15   1.028% *  0.2831% (0.19   0.02   0.02) =   0.003%
          QD1   LEU  123 - HD21  ASN   69  10.39 +/- 2.74   0.682% *  0.2831% (0.19   0.02   0.02) =   0.002%
          HB3   LEU   63 - HD21  ASN   69  11.21 +/- 1.03   0.217% *  0.8300% (0.56   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD21  ASN   69  12.58 +/- 0.96   0.084% *  0.5702% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  20.47 +/- 2.34   0.020% *  0.5370% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.387, support = 0.0199, residual support = 0.0199:
          HA    LEU  123 - HD21  ASN   69  10.91 +/- 3.60  28.527% * 14.3693% (0.39   0.02   0.02) =  43.761%  kept
          HA    LYS+  99 - HD21  ASN   69  10.75 +/- 1.64  15.626% * 19.7883% (0.53   0.02   0.02) =  33.010%  kept
          HA    LEU   40 - HD21  ASN   69   8.80 +/- 1.47  50.803% *  2.8311% (0.08   0.02   0.02) =  15.354%  kept
          HA    ASN   35 - HD21  ASN   69  13.95 +/- 2.04   2.937% * 17.4728% (0.47   0.02   0.02) =   5.478%  kept
          HA    PHE   59 - HD21  ASN   69  16.28 +/- 1.08   1.639% *  8.6000% (0.23   0.02   0.02) =   1.505%  kept
          HA    ILE   56 - HD21  ASN   69  21.00 +/- 1.07   0.318% * 16.7505% (0.45   0.02   0.02) =   0.569%  kept
          HA    ASP- 113 - HD21  ASN   69  23.40 +/- 1.36   0.150% * 20.1881% (0.54   0.02   0.02) =   0.323%
    Distance limit 4.84 A violated in 19 structures by 2.76 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 18.0:
          QB    PHE   55 - HN    ILE   56   2.69 +/- 0.23  95.384% * 97.6842% (0.97   4.27  18.01) =  99.979%  kept
          HB3   CYS   53 - HN    ILE   56   5.41 +/- 0.42   1.995% *  0.4575% (0.97   0.02   0.02) =   0.010%
          HB2   PHE   59 - HN    ILE   56   5.63 +/- 0.47   1.614% *  0.3623% (0.76   0.02  20.76) =   0.006%
          HD3   PRO   93 - HN    ILE   56   6.77 +/- 1.07   0.569% *  0.4731% (1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    ILE   56   7.10 +/- 0.62   0.423% *  0.4377% (0.92   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ILE   56  19.13 +/- 1.40   0.001% *  0.4699% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.56 +/- 2.81   0.011% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.37 +/- 2.16   0.002% *  0.0199% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  20.27 +/- 2.72   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  21.68 +/- 2.59   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  25.40 +/- 2.44   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  27.97 +/- 2.78   0.000% *  0.0204% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.02, residual support = 122.6:
      O   HB    ILE   56 - HN    ILE   56   2.93 +/- 0.60  94.431% * 99.2786% (0.87  10.0   6.02 122.60) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   6.09 +/- 0.66   3.490% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.49 +/- 0.20   0.532% *  0.0916% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ILE   56  10.11 +/- 1.25   0.098% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  13.91 +/- 3.91   1.254% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.31 +/- 1.04   0.015% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  14.46 +/- 1.63   0.017% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.66 +/- 0.94   0.005% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  13.52 +/- 3.66   0.049% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  20.10 +/- 1.31   0.002% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.80 +/- 0.82   0.041% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.78 +/- 0.93   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.57 +/- 1.68   0.031% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  17.11 +/- 3.09   0.008% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  28.24 +/- 1.73   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.05 +/- 1.58   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.82 +/- 1.18   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.45 +/- 0.92   0.000% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  16.69 +/- 4.55   0.014% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  20.78 +/- 2.70   0.002% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  19.69 +/- 2.81   0.003% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  20.27 +/- 3.85   0.002% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  26.12 +/- 3.23   0.000% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  26.57 +/- 2.07   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  36.01 +/- 1.61   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  23.50 +/- 2.47   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  29.30 +/- 3.28   0.000% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  38.49 +/- 3.48   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 122.6:
          QG1   ILE   56 - HN    ILE   56   3.94 +/- 0.27  94.332% * 98.0275% (0.87   5.17 122.60) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   9.30 +/- 1.28   0.998% *  0.1958% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  11.65 +/- 1.73   0.274% *  0.1490% (0.34   0.02   1.98) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.48 +/- 3.85   2.825% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  14.83 +/- 1.33   0.046% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.44 +/- 0.70   1.141% *  0.0065% (0.01   0.02  20.45) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.51 +/- 1.18   0.014% *  0.2649% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  14.12 +/- 4.32   0.239% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.14 +/- 0.97   0.022% *  0.1490% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  21.61 +/- 1.09   0.004% *  0.3649% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.45 +/- 1.08   0.003% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  17.25 +/- 1.38   0.015% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  15.57 +/- 2.57   0.050% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  17.71 +/- 2.40   0.017% *  0.0164% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  21.79 +/- 3.35   0.006% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  21.93 +/- 3.72   0.006% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  21.70 +/- 4.81   0.008% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  28.67 +/- 3.05   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.358, support = 0.902, residual support = 3.25:
          QB    ALA  110 - HN    ILE   56   5.29 +/- 2.93  75.736% * 12.0530% (0.20   0.88   5.05) =  60.393%  kept
          HG    LEU  115 - HN    ILE   56   7.69 +/- 1.33  13.364% * 25.9839% (0.38   1.01   0.50) =  22.974%  kept
          HB3   LEU  115 - HN    ILE   56   7.48 +/- 0.66   4.692% * 52.9655% (0.92   0.83   0.50) =  16.443%  kept
          QB    ALA   61 - HN    ILE   56   8.08 +/- 0.79   4.812% *  0.5170% (0.38   0.02   0.02) =   0.165%
          QB    ALA  120 - HN    ILE   56  13.79 +/- 1.14   0.259% *  0.5170% (0.38   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    ILE   56  14.04 +/- 1.14   0.119% *  1.0003% (0.73   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ILE   56  18.00 +/- 0.85   0.027% *  1.2354% (0.90   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE   56  17.89 +/- 1.03   0.022% *  1.1506% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   56  17.73 +/- 1.06   0.027% *  0.7247% (0.53   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE   56  19.63 +/- 1.49   0.014% *  1.2716% (0.92   0.02   0.02) =   0.001%
          HG    LEU   80 - HZ2   TRP   87  11.32 +/- 1.59   0.517% *  0.0133% (0.01   0.02   0.02) =   0.000%
          HG    LEU   73 - HZ2   TRP   87  16.13 +/- 2.27   0.122% *  0.0536% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  20.49 +/- 1.21   0.011% *  0.2726% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.63 +/- 1.64   0.002% *  1.3294% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  20.91 +/- 1.61   0.013% *  0.2125% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   56  21.26 +/- 1.98   0.009% *  0.3067% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.47 +/- 2.87   0.143% *  0.0118% (0.01   0.02   0.02) =   0.000%
          HG    LEU   40 - HZ2   TRP   87  21.16 +/- 2.97   0.017% *  0.0552% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  21.19 +/- 4.29   0.015% *  0.0577% (0.04   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  21.05 +/- 3.45   0.015% *  0.0552% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  20.37 +/- 1.35   0.012% *  0.0224% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  22.92 +/- 3.66   0.009% *  0.0224% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  25.50 +/- 2.72   0.004% *  0.0434% (0.03   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  25.54 +/- 2.71   0.003% *  0.0499% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  25.06 +/- 2.26   0.004% *  0.0315% (0.02   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  22.04 +/- 2.78   0.014% *  0.0092% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  22.43 +/- 2.53   0.010% *  0.0118% (0.01   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  23.46 +/- 2.97   0.005% *  0.0224% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 2 structures by 0.27 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 122.6:
          QG2   ILE   56 - HN    ILE   56   2.43 +/- 0.45  99.708% * 98.4442% (1.00   6.61 122.60) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56   9.14 +/- 1.72   0.129% *  0.2164% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  11.17 +/- 3.34   0.134% *  0.0084% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.86 +/- 1.39   0.009% *  0.0590% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.18 +/- 0.85   0.001% *  0.2819% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.18 +/- 0.96   0.001% *  0.1928% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.72 +/- 1.00   0.001% *  0.2164% (0.73   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.77 +/- 1.73   0.010% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  21.00 +/- 1.66   0.000% *  0.1118% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.26 +/- 2.15   0.002% *  0.0129% (0.04   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  16.48 +/- 2.52   0.002% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.89 +/- 1.78   0.000% *  0.0522% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  29.49 +/- 2.35   0.000% *  0.2819% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.88 +/- 1.42   0.000% *  0.0663% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  19.99 +/- 2.14   0.001% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  16.62 +/- 1.42   0.001% *  0.0026% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  22.03 +/- 2.59   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  26.59 +/- 3.14   0.000% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  23.56 +/- 3.79   0.000% *  0.0029% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  22.25 +/- 2.67   0.000% *  0.0023% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.91, support = 5.31, residual support = 50.7:
          HB3   CYS   53 - HN    ARG+  54   3.74 +/- 0.28  53.267% * 35.6553% (0.94   5.36  32.12) =  65.086%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.83 +/- 0.26  11.854% * 45.6222% (0.95   6.80 157.64) =  18.534%  kept
          QB    PHE   55 - HN    ARG+  54   4.22 +/- 0.14  26.120% * 18.2876% (0.76   3.40   3.55) =  16.370%  kept
          HD3   PRO   93 - HN    ARG+  54   7.12 +/- 1.14   1.643% *  0.1203% (0.85   0.02   0.02) =   0.007%
          HB2   PHE   59 - HN    ASP-  62   5.33 +/- 0.23   6.520% *  0.0132% (0.09   0.02   6.58) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.41 +/- 0.57   0.223% *  0.0706% (0.50   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.42 +/- 0.35   0.116% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.71 +/- 0.97   0.107% *  0.0218% (0.15   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  11.91 +/- 1.20   0.070% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  12.75 +/- 1.27   0.041% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  13.73 +/- 1.69   0.037% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.16 +/- 1.29   0.001% *  0.1164% (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 = 6.34, residual support = 157.6:
      O   HB2   ARG+  54 - HN    ARG+  54   3.07 +/- 0.55  99.410% * 96.9633% (0.26  10.0   6.34 157.64) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   9.10 +/- 1.03   0.260% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.22 +/- 1.42   0.030% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.89 +/- 1.91   0.021% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.66 +/- 1.28   0.037% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  11.80 +/- 1.31   0.047% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.45 +/- 0.98   0.023% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.00 +/- 1.27   0.007% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.96 +/- 1.24   0.015% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.22 +/- 0.72   0.037% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  14.88 +/- 1.48   0.012% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  19.47 +/- 1.77   0.002% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.32 +/- 1.06   0.025% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.20 +/- 1.93   0.016% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.70 +/- 1.25   0.035% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.04 +/- 1.36   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.92 +/- 1.39   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  25.04 +/- 1.06   0.000% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.43 +/- 0.87   0.012% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  24.10 +/- 1.09   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  20.02 +/- 1.06   0.002% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  19.12 +/- 0.96   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  20.70 +/- 1.27   0.001% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  25.57 +/- 1.11   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.34 +/- 1.64   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.77 +/- 1.17   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.01 +/- 1.56   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  25.17 +/- 1.00   0.000% *  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 = 0.928, support = 6.25, residual support = 155.2:
          HG2   ARG+  54 - HN    ARG+  54   3.45 +/- 0.28  88.298% * 83.8153% (0.94   6.30 157.64) =  98.459%  kept
          HB3   PRO   52 - HN    ARG+  54   5.19 +/- 0.22   8.525% * 13.5518% (0.29   3.27   1.76) =   1.537%  kept
          HB    ILE   56 - HN    ARG+  54   6.79 +/- 0.92   2.195% *  0.1307% (0.46   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ARG+  54  12.32 +/- 1.90   0.100% *  0.2592% (0.91   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP-  62   8.82 +/- 0.95   0.539% *  0.0245% (0.09   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  11.96 +/- 0.80   0.063% *  0.0498% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.71 +/- 1.14   0.013% *  0.2409% (0.85   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  10.91 +/- 1.44   0.140% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.68 +/- 0.96   0.040% *  0.0485% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  18.12 +/- 1.52   0.007% *  0.2479% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.15 +/- 0.91   0.022% *  0.0451% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.85 +/- 1.10   0.016% *  0.0501% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.14 +/- 0.85   0.003% *  0.2680% (0.94   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.44 +/- 0.89   0.021% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.34 +/- 1.85   0.004% *  0.0829% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.06 +/- 1.46   0.001% *  0.2592% (0.91   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.46 +/- 1.40   0.001% *  0.2632% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.75 +/- 0.99   0.001% *  0.2662% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.84 +/- 0.93   0.003% *  0.0498% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.20 +/- 1.75   0.002% *  0.0485% (0.17   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.80 +/- 0.94   0.002% *  0.0493% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.91 +/- 0.97   0.001% *  0.0531% (0.19   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  23.48 +/- 1.10   0.001% *  0.0464% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.99 +/- 0.84   0.004% *  0.0099% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.31 +/- 1.64   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  30.89 +/- 1.79   0.000% *  0.0916% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.168, support = 2.77, residual support = 8.27:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.12  97.374% * 57.5143% (0.16   2.79   8.32) =  99.369%  kept
          QB    ALA  110 - HN    ARG+  54   7.14 +/- 2.97   1.547% * 22.6380% (0.95   0.19   0.02) =   0.622%  kept
          QB    ALA   61 - HN    ARG+  54   9.49 +/- 1.00   0.112% *  2.2047% (0.87   0.02   0.02) =   0.004%
          QG    LYS+  66 - HN    ASP-  62   6.77 +/- 1.03   0.820% *  0.2711% (0.11   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ASP-  62   9.79 +/- 0.87   0.065% *  0.3578% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.65 +/- 2.01   0.027% *  0.4469% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  15.22 +/- 1.27   0.005% *  1.1625% (0.46   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.87 +/- 1.05   0.002% *  1.4486% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.50 +/- 1.94   0.014% *  0.2351% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  17.93 +/- 1.47   0.002% *  1.6406% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.90 +/- 1.13   0.013% *  0.2175% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  19.96 +/- 1.69   0.001% *  2.3831% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  15.24 +/- 1.30   0.005% *  0.4429% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.55 +/- 1.20   0.001% *  1.9125% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.90 +/- 1.49   0.000% *  2.3672% (0.94   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.42 +/- 0.75   0.006% *  0.1837% (0.07   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.39 +/- 0.85   0.001% *  0.9819% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.21 +/- 1.24   0.001% *  1.2566% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  20.70 +/- 1.01   0.001% *  0.5955% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.01 +/- 0.97   0.003% *  0.1114% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  22.73 +/- 2.14   0.000% *  0.4459% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.35 +/- 1.83   0.001% *  0.3070% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.43 +/- 1.49   0.000% *  0.7372% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.76 +/- 1.97   0.000% *  0.1379% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.467, support = 2.62, residual support = 10.6:
      O   HA2   GLY   51 - HN    GLY   51   2.61 +/- 0.24  53.383% * 83.6607% (0.49  10.0   2.21  10.21) =  86.315%  kept
          HD2   PRO   52 - HN    GLY   51   2.88 +/- 0.74  46.462% * 15.2395% (0.34   1.0   5.20  13.21) =  13.685%  kept
          QB    SER   48 - HN    GLY   51   7.01 +/- 0.97   0.149% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  13.17 +/- 0.93   0.003% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.83 +/- 1.85   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  15.43 +/- 2.28   0.002% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  21.33 +/- 1.58   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.13 +/- 1.06   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  24.10 +/- 1.24   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.01 +/- 2.06   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.83 +/- 1.14   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  31.54 +/- 1.16   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 = 1.48, residual support = 7.67:
      O   QB    CYS   50 - HN    CYS   50   2.97 +/- 0.33  99.021% * 99.6039% (0.69  10.0   1.48   7.67) =  99.998%  kept
          HB3   ASP-  78 - HN    CYS   50   8.46 +/- 1.99   0.881% *  0.1634% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50  10.37 +/- 1.49   0.096% *  0.1421% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.72 +/- 1.11   0.001% *  0.0302% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.76 +/- 1.09   0.000% *  0.0604% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.0, residual support = 7.19:
          QB    ALA   47 - HN    CYS   50   2.29 +/- 0.50  99.989% * 97.6772% (0.57   2.00   7.19) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  14.62 +/- 1.07   0.003% *  1.2498% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.48 +/- 0.54   0.004% *  0.7716% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  15.29 +/- 1.54   0.004% *  0.3014% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.338, support = 3.78, residual support = 15.4:
          QB    SER   48 - HN    TRP   49   3.00 +/- 0.26  70.267% * 27.7761% (0.45   1.0   3.92  15.42) =  51.069%  kept
      O   HA    SER   48 - HN    TRP   49   3.55 +/- 0.04  26.577% * 70.3419% (0.22  10.0   3.62  15.42) =  48.917%  kept
          HD2   PRO   52 - HN    TRP   49   5.39 +/- 0.64   2.490% *  0.2044% (0.65   1.0   0.02   2.33) =   0.013%
          HA2   GLY   51 - HN    TRP   49   6.80 +/- 0.67   0.590% *  0.0703% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    TRP   49  12.38 +/- 1.75   0.046% *  0.1299% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  13.57 +/- 1.43   0.012% *  0.3049% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  12.58 +/- 0.89   0.017% *  0.1078% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  22.76 +/- 1.28   0.000% *  0.3132% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.62 +/- 1.60   0.000% *  0.3049% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.35 +/- 1.09   0.000% *  0.2170% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.52 +/- 1.04   0.000% *  0.0878% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.84 +/- 0.89   0.000% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.1:
      O   HB3   TRP   49 - HN    TRP   49   3.38 +/- 0.25  99.990% * 99.8958% (0.80  10.0   4.00  87.07) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.23 +/- 1.01   0.010% *  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 = 0.421, support = 2.61, residual support = 9.65:
      O   QB    SER   48 - HN    SER   48   2.24 +/- 0.18  78.006% * 66.2308% (0.45  10.0   2.61   9.65) =  87.814%  kept
      O   HA    SER   48 - HN    SER   48   2.80 +/- 0.03  21.798% * 32.8893% (0.22  10.0   2.61   9.65) =  12.186%  kept
          HD2   PRO   52 - HN    SER   48   6.77 +/- 0.93   0.142% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  10.97 +/- 1.96   0.021% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.84 +/- 0.60   0.023% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.02 +/- 1.37   0.005% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.27 +/- 1.00   0.006% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.23 +/- 1.28   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.72 +/- 1.58   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  26.13 +/- 0.83   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.73 +/- 1.01   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.00 +/- 0.84   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   2.83 +/- 0.23  99.986% * 99.1197% (0.90   4.08   6.15) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.43 +/- 0.45   0.007% *  0.4339% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.32 +/- 1.04   0.005% *  0.2034% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.55 +/- 1.57   0.002% *  0.2430% (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 = 0.828, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   8.95 +/- 0.96  89.596% * 52.2208% (0.84   0.02   0.02) =  90.396%  kept
          HB2   TRP   87 - HN    ALA   47  14.91 +/- 2.06  10.404% * 47.7792% (0.76   0.02   0.02) =   9.604%  kept
    Distance limit 4.20 A violated in 20 structures by 4.52 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.48, residual support = 7.03:
          QB    CYS   50 - HN    ALA   47   3.96 +/- 0.58  92.707% * 67.1250% (0.97   1.50   7.19) =  97.670%  kept
          QE    LYS+  74 - HN    ALA   47   7.29 +/- 1.22   4.657% * 31.6172% (0.98   0.70   0.02) =   2.311%  kept
          HB3   ASP-  78 - HN    ALA   47   8.15 +/- 1.33   2.579% *  0.4514% (0.49   0.02   0.02) =   0.018%
          HB2   PHE   72 - HN    ALA   47  14.27 +/- 1.00   0.055% *  0.2065% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.33 +/- 1.01   0.002% *  0.5999% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.18 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.65 +/- 0.35  99.488% * 97.5694% (0.97   3.20  12.68) =  99.997%  kept
          QG2   VAL   18 - HN    ALA   47  10.30 +/- 1.13   0.320% *  0.5659% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    ALA   47  11.92 +/- 0.92   0.159% *  0.4335% (0.69   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ALA   47  15.99 +/- 0.92   0.017% *  0.5970% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.03 +/- 0.64   0.011% *  0.3072% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.84 +/- 1.12   0.005% *  0.5271% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 10.9:
      O   QB    ALA   47 - HN    ALA   47   2.30 +/- 0.09  99.985% * 99.7622% (0.57  10.0   2.36  10.89) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.02 +/- 0.97   0.006% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.39 +/- 0.43   0.007% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  14.40 +/- 1.70   0.002% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.00 +/- 0.29  99.973% * 99.3656% (0.25  10.0   3.25  34.52) = 100.000%  kept
          HB2   HIS   22 - HN    THR   46  13.59 +/- 1.39   0.020% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.88 +/- 1.14   0.005% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  18.87 +/- 1.23   0.002% *  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   3.10 +/- 0.45  95.611% * 80.5954% (0.61   3.60  11.98) =  99.150%  kept
          HB3   ASP-  44 - HN    THR   46   5.78 +/- 0.74   4.151% * 15.9022% (0.22   1.93   0.02) =   0.849%  kept
          HB3   LEU   80 - HN    THR   46  10.22 +/- 1.59   0.145% *  0.3037% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.79 +/- 1.02   0.042% *  0.6989% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.55 +/- 1.22   0.038% *  0.2280% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  16.07 +/- 1.29   0.006% *  0.4779% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  17.54 +/- 0.86   0.004% *  0.4183% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  22.01 +/- 0.79   0.001% *  0.6626% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.04 +/- 1.56   0.000% *  0.7130% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.933, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.65 +/- 1.90  65.945% * 32.0586% (0.99   0.02   0.02) =  72.648%  kept
          QD1   ILE  119 - HN    THR   46  12.95 +/- 1.10  25.432% * 25.8997% (0.80   0.02   0.02) =  22.635%  kept
          HB2   LEU  104 - HN    THR   46  18.68 +/- 0.87   2.318% * 32.0586% (0.99   0.02   0.02) =   2.554%  kept
          HG3   LYS+ 112 - HN    THR   46  16.61 +/- 1.75   6.305% *  9.9831% (0.31   0.02   0.02) =   2.163%  kept
    Distance limit 4.64 A violated in 20 structures by 5.05 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   2.19 +/- 0.33  99.862% * 97.4006% (0.97   3.39  34.52) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.62 +/- 0.74   0.050% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    THR   46   8.55 +/- 1.05   0.042% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.68 +/- 1.06   0.038% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  13.07 +/- 0.81   0.004% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.83 +/- 0.58   0.002% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  15.44 +/- 1.00   0.001% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.52 +/- 1.06   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 = 1.93:
          QG1   VAL   75 - HN    THR   46   3.79 +/- 0.56  99.823% * 99.0129% (0.92   1.66   1.93) =  99.998%  kept
          QD1   LEU  115 - HN    THR   46  11.72 +/- 1.23   0.177% *  0.9871% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   3.70 +/- 0.85  99.136% * 94.1909% (0.65   3.30  27.19) =  99.996%  kept
          QB    SER   48 - HN    PHE   45  11.04 +/- 0.37   0.250% *  0.6747% (0.76   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    PHE   45  10.85 +/- 1.14   0.326% *  0.3012% (0.34   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  15.06 +/- 0.70   0.036% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  13.91 +/- 0.83   0.065% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  15.81 +/- 0.92   0.028% *  0.8150% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.20 +/- 1.00   0.063% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  17.90 +/- 0.84   0.014% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.05 +/- 0.77   0.012% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  14.46 +/- 0.32   0.048% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.95 +/- 1.08   0.014% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.99 +/- 0.81   0.007% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.7:
      O   HB2   PHE   45 - HN    PHE   45   2.35 +/- 0.09  99.986% * 99.8561% (0.99  10.0   3.68  80.71) = 100.000%  kept
          QE    LYS+ 111 - HN    PHE   45  13.03 +/- 1.42   0.006% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    PHE   45  11.43 +/- 0.81   0.008% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 80.7:
      O   HB3   PHE   45 - HN    PHE   45   3.55 +/- 0.06  99.162% * 99.6079% (0.87  10.0   4.00  80.71) = 100.000%  kept
          HB    VAL  107 - HN    PHE   45   8.17 +/- 0.41   0.704% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  13.73 +/- 2.12   0.046% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  13.95 +/- 1.18   0.030% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  12.75 +/- 1.14   0.053% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.30 +/- 0.83   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.477, support = 4.01, residual support = 18.9:
          HB3   ASP-  44 - HN    PHE   45   3.52 +/- 0.43  82.149% * 64.5626% (0.49   4.10  19.47) =  95.007%  kept
          QG2   THR   77 - HN    PHE   45   5.35 +/- 0.53   9.093% * 25.7947% (0.31   2.58   9.36) =   4.202%  kept
          HB3   PRO   93 - HN    PHE   45   5.81 +/- 0.95   8.125% *  5.4140% (0.15   1.09   0.02) =   0.788%  kept
          HB2   LEU   63 - HN    PHE   45   9.77 +/- 1.25   0.248% *  0.3923% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    PHE   45  12.80 +/- 2.45   0.062% *  0.4696% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   45  13.17 +/- 1.34   0.042% *  0.5970% (0.92   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    PHE   45  12.79 +/- 0.47   0.043% *  0.4442% (0.69   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   45  10.40 +/- 0.63   0.140% *  0.1133% (0.18   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   45  12.28 +/- 1.87   0.079% *  0.1613% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  16.08 +/- 0.84   0.011% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.54 +/- 0.91   0.004% *  0.6453% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  18.62 +/- 0.98   0.004% *  0.2206% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.46 +/- 1.10   0.001% *  0.6241% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.88, support = 0.02, residual support = 4.19:
          QD1   ILE   89 - HN    PHE   45   7.38 +/- 0.41  56.382% * 30.6068% (0.80   0.02   6.67) =  51.828%  kept
          QG2   VAL   83 - HN    PHE   45   8.00 +/- 0.99  38.147% * 37.4664% (0.98   0.02   1.70) =  42.925%  kept
          QD2   LEU   31 - HN    PHE   45  10.99 +/- 0.75   5.471% * 31.9268% (0.84   0.02   0.02) =   5.246%  kept
    Distance limit 4.34 A violated in 20 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.33 +/- 0.22  99.892% * 98.4423% (1.00   4.10  12.48) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  12.33 +/- 0.43   0.043% *  0.3852% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.04 +/- 1.23   0.032% *  0.2157% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  15.61 +/- 2.03   0.013% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.02 +/- 1.12   0.014% *  0.0651% (0.14   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.29 +/- 0.73   0.003% *  0.2918% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  20.20 +/- 1.40   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 = 8.2:
          HN    CYS   50 - HN    CYS   53   5.02 +/- 0.21  99.925% * 77.1198% (0.87  1.00   0.75   8.20) =  99.978%  kept
        T HN    VAL   83 - HN    CYS   53  17.63 +/- 1.55   0.075% * 22.8802% (0.97 10.00   0.02   0.02) =   0.022%
    Distance limit 4.76 A violated in 0 structures by 0.27 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   3.46 +/- 0.02  99.864% * 99.8358% (0.61  10.0   7.18  53.82) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.94 +/- 1.33   0.136% *  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 = 43.9:
      O   HA    CYS   53 - HN    CYS   53   2.77 +/- 0.04  99.995% * 99.7036% (0.90  10.0   4.78  43.92) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.92 +/- 1.03   0.003% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  20.12 +/- 1.61   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.67 +/- 1.12   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.16 +/- 0.97   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.92 +/- 1.59   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.04 +/- 1.10   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.15, residual support = 53.3:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  98.489% * 60.8391% (0.34   8.20  53.82) =  99.121%  kept
          HA2   GLY   51 - HN    CYS   53   4.61 +/- 0.19   1.461% * 36.3760% (0.49   3.43   0.02) =   0.879%  kept
          QB    SER   48 - HN    CYS   53   8.56 +/- 0.32   0.035% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.46 +/- 0.74   0.011% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.24 +/- 0.90   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.17 +/- 1.25   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.98 +/- 0.97   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  15.60 +/- 1.21   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.71 +/- 1.20   0.000% *  0.4117% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.01 +/- 1.82   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.29 +/- 1.02   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.40 +/- 1.12   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 4.97, residual support = 44.3:
      O   HB2   CYS   53 - HN    CYS   53   2.84 +/- 0.37  80.083% * 84.8505% (0.98  10.0   4.92  43.92) =  95.836%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  19.756% * 14.9430% (0.57   1.0   6.10  53.82) =   4.164%  kept
          HD2   PRO   58 - HN    CYS   53   8.30 +/- 0.54   0.159% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  17.62 +/- 1.35   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.74 +/- 1.24   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.36 +/- 1.08   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.71, residual support = 43.9:
      O   HB3   CYS   53 - HN    CYS   53   2.47 +/- 0.54  93.159% * 99.5214% (0.97  10.0   5.71  43.92) =  99.993%  kept
          HD3   PRO   93 - HN    CYS   53   5.30 +/- 1.69   3.883% *  0.1029% (1.00   1.0   0.02   0.02) =   0.004%
          QB    PHE   55 - HN    CYS   53   4.99 +/- 0.22   2.654% *  0.0995% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   7.29 +/- 0.36   0.259% *  0.0952% (0.92   1.0   0.02  32.12) =   0.000%
          HB2   PHE   59 - HN    CYS   53   9.89 +/- 0.69   0.045% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  22.73 +/- 1.44   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.2:
          QB    CYS   50 - HN    CYS   53   4.12 +/- 0.70  99.049% * 98.0456% (0.69   2.96   8.20) =  99.993%  kept
          QE    LYS+  74 - HN    CYS   53  10.36 +/- 1.80   0.689% *  0.7010% (0.73   0.02   0.02) =   0.005%
          HB3   ASP-  78 - HN    CYS   53  12.32 +/- 1.77   0.252% *  0.8064% (0.84   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYS   53  20.53 +/- 1.09   0.008% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.93 +/- 1.35   0.002% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 53.8:
          HG2   PRO   52 - HN    CYS   53   3.48 +/- 0.59  97.368% * 94.9818% (0.25   7.21  53.82) =  99.980%  kept
          HG2   MET   92 - HN    CYS   53   7.63 +/- 1.19   2.076% *  0.8080% (0.76   0.02   0.02) =   0.018%
          QG    GLU- 114 - HN    CYS   53  12.54 +/- 1.33   0.080% *  0.7263% (0.69   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   53  10.84 +/- 1.31   0.293% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   53  12.13 +/- 1.33   0.138% *  0.2636% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  15.25 +/- 1.67   0.027% *  0.6413% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  17.28 +/- 1.43   0.015% *  0.1852% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.92 +/- 1.57   0.002% *  0.3607% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  25.24 +/- 2.13   0.001% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  33.47 +/- 1.96   0.000% *  0.8466% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.55 +/- 1.76   0.000% *  0.8080% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.97, support = 7.16, residual support = 53.5:
          HG3   PRO   52 - HN    CYS   53   3.72 +/- 0.58  82.095% * 90.6429% (0.98   7.21  53.82) =  98.726%  kept
          HB2   ARG+  54 - HN    CYS   53   5.56 +/- 0.64  11.376% *  8.3811% (0.18   3.73  32.12) =   1.265%  kept
          HB2   PRO   93 - HN    CYS   53   6.97 +/- 1.87   6.161% *  0.1055% (0.41   0.02   0.02) =   0.009%
          HG2   PRO   58 - HN    CYS   53  10.38 +/- 0.36   0.216% *  0.2516% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  13.24 +/- 2.00   0.150% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  27.67 +/- 2.46   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.51 +/- 1.33   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  37.76 +/- 2.33   0.000% *  0.2567% (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 = 7.32, residual support = 53.4:
      O   HB3   PRO   52 - HN    CYS   53   3.57 +/- 0.32  90.035% * 77.7382% (0.65  10.0   7.38  53.82) =  98.066%  kept
          HG2   ARG+  54 - HN    CYS   53   5.76 +/- 0.34   6.434% * 21.4411% (0.90   1.0   3.98  32.12) =   1.933%  kept
          HB    ILE   56 - HN    CYS   53   6.85 +/- 1.12   3.197% *  0.0238% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    CYS   53  10.39 +/- 1.59   0.279% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.45 +/- 1.15   0.027% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  16.67 +/- 1.61   0.013% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.36 +/- 0.88   0.004% *  0.1042% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  20.94 +/- 1.63   0.003% *  0.0777% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.06 +/- 1.46   0.001% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  24.65 +/- 1.66   0.001% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.98 +/- 1.31   0.002% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.15 +/- 1.11   0.001% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.81 +/- 1.16   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 = 5.83, residual support = 45.9:
        T HN    GLN   32 - HN    LEU   31   2.71 +/- 0.13  95.822% * 99.2679% (0.78 10.00   5.83  45.94) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.67 +/- 0.26   4.139% *  0.0183% (0.14  1.00   0.02   4.96) =   0.001%
          HN    THR   94 - HN    PHE   55  10.40 +/- 0.78   0.036% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  20.63 +/- 2.84   0.001% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.49 +/- 0.69   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.07 +/- 1.41   0.001% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  29.06 +/- 0.95   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.99 +/- 0.88   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.53, support = 7.06, residual support = 49.6:
        T HN    GLN   30 - HN    LEU   31   2.45 +/- 0.07  96.494% * 81.1748% (0.53 10.00   7.09  50.05) =  99.194%  kept
          HN    GLU-  29 - HN    LEU   31   4.26 +/- 0.11   3.503% * 18.1633% (0.91  1.00   2.58   0.02) =   0.806%  kept
          HN    VAL   18 - HN    LEU   31  15.41 +/- 0.78   0.002% *  0.0399% (0.26  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LEU   31  19.71 +/- 2.77   0.000% *  0.0928% (0.60  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  26.40 +/- 0.83   0.000% *  0.3960% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.84 +/- 1.29   0.001% *  0.0194% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.59 +/- 1.42   0.000% *  0.0452% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.50 +/- 0.76   0.000% *  0.0686% (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 = 3.17, residual support = 20.1:
      O   HA    PHE   55 - HN    PHE   55   2.83 +/- 0.05  94.436% * 99.0930% (0.48  10.0   3.17  20.08) =  99.997%  kept
          HA    TRP   27 - HN    LEU   31   4.70 +/- 0.31   4.747% *  0.0276% (0.13   1.0   0.02  12.25) =   0.001%
          HA    ALA  110 - HN    PHE   55   7.99 +/- 2.77   0.717% *  0.1465% (0.71   1.0   0.02   0.27) =   0.001%
          HA    ALA   91 - HN    PHE   55  11.13 +/- 1.94   0.079% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.25 +/- 1.71   0.009% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.35 +/- 0.99   0.010% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.39 +/- 1.06   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  22.45 +/- 1.60   0.000% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.28 +/- 1.64   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.00 +/- 1.49   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.38 +/- 0.80   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.80 +/- 0.93   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 = 20.1:
      O   QB    PHE   55 - HN    PHE   55   1.98 +/- 0.07  99.403% * 99.1124% (0.79  10.0   2.92  20.08) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.39 +/- 0.37   0.276% *  0.0867% (0.69   1.0   0.02   3.55) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.47 +/- 0.26   0.241% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   7.25 +/- 1.03   0.055% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.02 +/- 0.46   0.025% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.18 +/- 1.07   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.34 +/- 1.34   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.74 +/- 1.08   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.72 +/- 0.86   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.68 +/- 1.17   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  24.21 +/- 1.09   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  28.90 +/- 1.33   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 = 0.345, support = 3.39, residual support = 9.23:
      O   HA    ARG+  54 - HN    PHE   55   3.55 +/- 0.04  37.961% * 70.1595% (0.25  10.0   3.09   3.55) =  61.342%  kept
          HA    ASN   28 - HN    LEU   31   3.28 +/- 0.16  60.495% * 27.7415% (0.50   1.0   3.86  18.24) =  38.652%  kept
          HA    ALA   34 - HN    LEU   31   7.17 +/- 0.31   0.575% *  0.1662% (0.58   1.0   0.02   4.96) =   0.002%
          HA    THR   26 - HN    LEU   31   6.89 +/- 0.28   0.747% *  0.1114% (0.39   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    LEU   31  10.15 +/- 2.30   0.175% *  0.1718% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    PHE   55  11.55 +/- 0.78   0.035% *  0.1972% (0.69   1.0   0.02   4.69) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.38 +/- 0.81   0.009% *  0.2150% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.32 +/- 1.09   0.001% *  0.1494% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.78 +/- 0.84   0.000% *  0.1899% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.62 +/- 1.66   0.000% *  0.1629% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  27.97 +/- 1.62   0.000% *  0.2268% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.87 +/- 0.95   0.000% *  0.2194% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  27.01 +/- 0.76   0.000% *  0.1470% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  23.92 +/- 1.74   0.000% *  0.0506% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.57 +/- 1.03   0.000% *  0.0531% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  26.20 +/- 2.45   0.000% *  0.0383% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.14, residual support = 231.8:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.14 231.76) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  26.28 +/- 0.94   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 = 0.483, support = 5.57, residual support = 38.4:
          HB2   GLN   30 - HN    LEU   31   3.56 +/- 0.36  41.902% * 34.0873% (0.48   6.05  50.05) =  53.204%  kept
          HB2   ARG+  54 - HN    PHE   55   3.47 +/- 0.25  45.368% * 14.7726% (0.39   3.27   3.55) =  24.965%  kept
          HG3   GLN   30 - HN    LEU   31   4.69 +/- 0.62  11.947% * 49.0497% (0.60   7.03  50.05) =  21.829%  kept
          HB2   PRO   93 - HN    PHE   55   7.86 +/- 1.52   0.576% *  0.0414% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.35 +/- 1.34   0.050% *  0.1052% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  12.29 +/- 1.60   0.038% *  0.1221% (0.52   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.09 +/- 0.38   0.072% *  0.0434% (0.19   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.12 +/- 1.34   0.011% *  0.1488% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.21 +/- 1.58   0.012% *  0.1052% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  14.30 +/- 1.47   0.011% *  0.0685% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.42 +/- 0.79   0.004% *  0.0685% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.86 +/- 1.10   0.001% *  0.1221% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  20.08 +/- 1.52   0.001% *  0.0904% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.07 +/- 1.58   0.001% *  0.0797% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.35 +/- 1.34   0.000% *  0.1612% (0.69   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  23.64 +/- 1.48   0.000% *  0.1127% (0.48   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  23.00 +/- 1.23   0.001% *  0.0904% (0.39   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.84 +/- 1.01   0.000% *  0.1488% (0.64   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  25.89 +/- 1.03   0.000% *  0.1841% (0.79   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.40 +/- 1.29   0.001% *  0.0313% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.11 +/- 1.77   0.000% *  0.0797% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.42 +/- 1.21   0.000% *  0.1612% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.09 +/- 1.08   0.000% *  0.0573% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.99 +/- 1.00   0.000% *  0.0685% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 231.8:
      O   HB2   LEU   31 - HN    LEU   31   2.39 +/- 0.09  99.631% * 98.5368% (0.78  10.0   7.14 231.76) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   6.98 +/- 1.33   0.297% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31   9.85 +/- 1.15   0.029% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  12.09 +/- 1.66   0.008% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  11.45 +/- 1.11   0.010% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.60 +/- 1.19   0.002% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.45 +/- 1.00   0.006% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.02 +/- 0.65   0.004% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  16.51 +/- 3.98   0.002% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.28 +/- 1.18   0.004% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  17.14 +/- 2.05   0.001% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.13 +/- 1.17   0.002% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.84 +/- 1.09   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.68 +/- 1.30   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.96 +/- 1.27   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  19.45 +/- 1.30   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.45 +/- 1.94   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.88 +/- 1.53   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.37 +/- 1.76   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.35 +/- 1.69   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.93 +/- 1.04   0.000% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  27.32 +/- 0.98   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.96 +/- 1.15   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  31.66 +/- 1.59   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 231.8:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.01  97.458% * 99.4260% (0.83  10.0   7.14 231.76) =  99.999%  kept
          QG1   VAL   24 - HN    LEU   31   7.45 +/- 0.79   1.354% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.08 +/- 0.32   0.103% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   8.99 +/- 1.40   0.525% *  0.0167% (0.14   1.0   0.02   2.13) =   0.000%
          QG2   VAL  107 - HN    PHE   55   8.93 +/- 0.94   0.482% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.85 +/- 1.10   0.051% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  16.92 +/- 1.37   0.009% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.23 +/- 0.91   0.008% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.09 +/- 1.66   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  21.60 +/- 2.21   0.002% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.93 +/- 1.25   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.13 +/- 1.19   0.004% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  27.14 +/- 1.13   0.000% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  29.27 +/- 1.59   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.634, support = 7.37, residual support = 223.5:
          HG    LEU   31 - HN    LEU   31   2.93 +/- 0.50  83.827% * 63.1991% (0.64   7.55 231.76) =  96.164%  kept
          QD1   ILE   56 - HN    PHE   55   4.81 +/- 0.90   9.365% * 18.8364% (0.45   3.20  18.01) =   3.202%  kept
          QD2   LEU   73 - HN    LEU   31   6.01 +/- 0.59   2.015% * 17.2289% (0.78   1.69   3.25) =   0.630%  kept
          QG1   VAL   41 - HN    LEU   31   5.40 +/- 0.77   4.785% *  0.0427% (0.16   0.02   0.02) =   0.004%
          QD1   ILE   56 - HN    LEU   31  18.87 +/- 1.25   0.002% *  0.2417% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.79 +/- 1.24   0.003% *  0.0994% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  20.83 +/- 2.17   0.001% *  0.1675% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.33 +/- 1.27   0.001% *  0.0817% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.98 +/- 1.06   0.000% *  0.0817% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.11 +/- 0.82   0.001% *  0.0208% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.89, residual support = 231.8:
          QD2   LEU   31 - HN    LEU   31   2.18 +/- 0.44  99.911% * 97.7480% (0.18   6.89 231.76) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   8.23 +/- 0.73   0.087% *  1.4206% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  14.30 +/- 0.77   0.002% *  0.6930% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  20.27 +/- 0.82   0.000% *  0.1384% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.601, support = 2.04, residual support = 3.25:
          QD1   LEU   73 - HN    LEU   31   4.46 +/- 0.71  93.033% * 90.9527% (0.60   2.04   3.25) =  99.941%  kept
          QD2   LEU  115 - HN    PHE   55   8.46 +/- 1.14   4.772% *  0.6366% (0.43   0.02   4.69) =   0.036%
          QD2   LEU   80 - HN    LEU   31  12.80 +/- 4.62   0.609% *  1.3313% (0.90   0.02   0.02) =   0.010%
          QG1   VAL   83 - HN    LEU   31  12.15 +/- 2.46   0.410% *  0.8924% (0.60   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    LEU   31  13.09 +/- 0.99   0.244% *  1.3673% (0.92   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    PHE   55  10.70 +/- 0.80   0.656% *  0.4353% (0.29   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    LEU   31  14.71 +/- 1.42   0.111% *  0.8924% (0.60   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  17.35 +/- 1.86   0.039% *  0.6494% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  17.21 +/- 1.62   0.054% *  0.4353% (0.29   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  19.73 +/- 1.41   0.018% *  1.3049% (0.88   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.68 +/- 0.95   0.038% *  0.4353% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  19.90 +/- 0.88   0.016% *  0.6670% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 1 structures by 0.19 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.671, support = 8.06, residual support = 49.8:
          HB3   GLN   30 - HN    LEU   31   3.19 +/- 0.28  92.327% * 87.9577% (0.68   8.10  50.05) =  99.099%  kept
          HB    ILE   56 - HN    PHE   55   5.18 +/- 0.74   7.175% * 10.2809% (0.17   3.76  18.01) =   0.900%  kept
          HB3   PRO   58 - HN    PHE   55   8.62 +/- 0.57   0.293% *  0.1430% (0.44   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    PHE   55  10.53 +/- 1.25   0.116% *  0.1265% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  12.93 +/- 1.27   0.038% *  0.1573% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.17 +/- 0.80   0.037% *  0.0461% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  16.91 +/- 1.39   0.005% *  0.1122% (0.35   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  21.74 +/- 1.34   0.001% *  0.2593% (0.81   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  24.15 +/- 2.61   0.001% *  0.1693% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  26.02 +/- 0.91   0.000% *  0.2931% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.12 +/- 1.10   0.005% *  0.0225% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.44 +/- 1.20   0.001% *  0.1122% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.64 +/- 0.90   0.000% *  0.1059% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.11 +/- 1.83   0.000% *  0.0547% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  30.60 +/- 1.74   0.000% *  0.0767% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  37.70 +/- 1.79   0.000% *  0.0826% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.549, support = 5.71, residual support = 41.4:
          HG2   GLN   30 - HN    LEU   31   5.06 +/- 0.41  46.145% * 75.5973% (0.49   7.24  50.05) =  72.926%  kept
          HB3   ASN   28 - HN    LEU   31   4.93 +/- 0.18  53.799% * 24.0729% (0.71   1.59  18.24) =  27.074%  kept
          QE    LYS+ 121 - HN    LEU   31  19.02 +/- 2.82   0.027% *  0.0537% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.07 +/- 1.28   0.024% *  0.0262% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  25.04 +/- 1.16   0.003% *  0.1019% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.85 +/- 0.84   0.002% *  0.1480% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.13 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.46, residual support = 50.0:
      O   HA    GLN   30 - HN    LEU   31   3.56 +/- 0.03  87.005% * 98.9089% (0.64  10.0   6.46  50.05) =  99.996%  kept
          HB2   CYS   53 - HN    PHE   55   5.12 +/- 0.16   9.900% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.44 +/- 0.24   2.570% *  0.0537% (0.35   1.0   0.02   0.49) =   0.002%
          HB3   SER   37 - HN    LEU   31   9.29 +/- 0.45   0.289% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   31  10.39 +/- 0.89   0.162% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  17.32 +/- 3.60   0.012% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.78 +/- 2.18   0.010% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  15.36 +/- 1.51   0.017% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.91 +/- 0.96   0.027% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  20.99 +/- 1.70   0.002% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.77 +/- 1.63   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.17 +/- 1.16   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.98 +/- 1.06   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  27.33 +/- 1.42   0.000% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.83 +/- 1.09   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.91 +/- 1.68   0.000% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  27.31 +/- 0.94   0.000% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.64 +/- 1.01   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 = 6.26, residual support = 157.6:
      O   HA    ARG+  54 - HN    ARG+  54   2.74 +/- 0.04  99.894% * 99.0002% (0.61  10.0   6.26 157.64) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  13.29 +/- 0.80   0.009% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.56 +/- 1.00   0.036% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.13 +/- 0.74   0.047% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.38 +/- 0.81   0.002% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.78 +/- 0.82   0.004% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.08 +/- 1.55   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.41 +/- 1.14   0.002% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.96 +/- 0.82   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.25 +/- 0.76   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.70 +/- 1.01   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  25.68 +/- 1.57   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.13 +/- 1.63   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.01 +/- 0.80   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.67 +/- 1.60   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.72 +/- 0.84   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  23.13 +/- 0.79   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  24.07 +/- 1.22   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 87.1:
      O   HB2   TRP   49 - HN    TRP   49   3.21 +/- 0.38  99.873% * 99.6106% (0.98  10.0   4.00  87.07) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  11.12 +/- 1.34   0.096% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  13.93 +/- 3.13   0.030% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.25 +/- 0.80   0.001% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.07 +/- 1.18   0.001% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 14.7:
          QB    ALA   47 - HE1   TRP   49   3.62 +/- 0.92  99.939% * 98.5650% (1.00   2.55  14.74) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  15.73 +/- 1.75   0.022% *  0.7486% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  16.21 +/- 2.82   0.025% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  17.20 +/- 1.73   0.013% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 14.7:
          QB    ALA   47 - HN    TRP   49   2.66 +/- 0.15  99.993% * 99.0218% (1.00   3.75  14.74) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.49 +/- 0.61   0.003% *  0.5103% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  16.76 +/- 1.64   0.002% *  0.3632% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.00 +/- 1.00   0.002% *  0.1047% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 0.0573, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   3.72 +/- 0.63  94.842% * 11.3344% (0.90   0.02   0.02) =  80.116%  kept
          HD3   PRO   52 - HN    ALA   47   7.28 +/- 1.18   4.834% * 54.5353% (0.41   0.21   0.02) =  19.649%  kept
          HD2   PRO   58 - HN    ALA   47  10.63 +/- 1.23   0.207% * 10.1199% (0.80   0.02   0.02) =   0.156%
          HA    VAL   83 - HN    ALA   47  13.94 +/- 1.33   0.112% *  9.1773% (0.73   0.02   0.02) =   0.077%
          HA    GLN   30 - HN    ALA   47  21.82 +/- 0.78   0.003% *  6.1517% (0.49   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ALA   47  26.01 +/- 1.12   0.001% *  8.6813% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 38.7:
      O   HB2   ASP-  44 - HN    ASP-  44   2.59 +/- 0.18  99.577% * 99.4473% (0.87  10.0   3.13  38.66) = 100.000%  kept
          HB3   PHE   72 - HN    ASP-  44   7.03 +/- 0.85   0.390% *  0.0876% (0.76   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.96 +/- 1.32   0.005% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.91 +/- 1.29   0.008% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  14.53 +/- 0.73   0.004% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.01 +/- 1.47   0.013% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  16.96 +/- 1.69   0.002% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  24.83 +/- 1.31   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.30 +/- 1.33   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 7.36:
          HB2   LEU   73 - HN    ASP-  44   4.98 +/- 0.99  90.053% * 95.6454% (0.87   2.72   7.36) =  99.944%  kept
          QG1   ILE   56 - HN    ASP-  44   9.62 +/- 1.50   4.606% *  0.4912% (0.61   0.02   0.02) =   0.026%
          QD    LYS+ 106 - HN    ASP-  44  11.31 +/- 1.20   1.532% *  0.7939% (0.98   0.02   0.02) =   0.014%
          HB3   MET   92 - HN    ASP-  44  11.76 +/- 0.99   0.882% *  0.5881% (0.73   0.02   0.02) =   0.006%
          HG3   PRO   93 - HN    ASP-  44  11.50 +/- 1.12   1.535% *  0.2500% (0.31   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ASP-  44  14.63 +/- 0.90   0.239% *  0.8028% (0.99   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ASP-  44  14.00 +/- 0.83   0.282% *  0.3942% (0.49   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    ASP-  44  12.31 +/- 0.60   0.601% *  0.1250% (0.15   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  17.85 +/- 1.41   0.067% *  0.4912% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.12 +/- 1.65   0.072% *  0.2763% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  16.43 +/- 1.21   0.131% *  0.1418% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 8 structures by 0.68 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.549, support = 1.25, residual support = 6.13:
          HB2   LYS+  74 - HN    ASP-  44   6.08 +/- 0.46  53.714% * 62.5356% (0.65   1.22   6.14) =  73.586%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.46 +/- 1.09  40.218% * 29.7848% (0.28   1.35   6.14) =  26.242%  kept
          QG2   THR   26 - HN    ASP-  44   9.77 +/- 0.64   3.906% *  1.4199% (0.90   0.02   0.02) =   0.122%
          HG2   LYS+  65 - HN    ASP-  44  13.65 +/- 1.13   0.547% *  1.4976% (0.95   0.02   0.02) =   0.018%
          QD    LYS+  66 - HN    ASP-  44  14.81 +/- 1.16   0.320% *  1.4199% (0.90   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - HN    ASP-  44  15.44 +/- 1.31   0.269% *  1.5518% (0.98   0.02   0.02) =   0.009%
          HG    LEU  104 - HN    ASP-  44  13.63 +/- 0.88   0.529% *  0.6509% (0.41   0.02   0.02) =   0.008%
          HB3   LYS+ 121 - HN    ASP-  44  15.68 +/- 1.64   0.236% *  0.6509% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    ASP-  44  15.39 +/- 1.42   0.260% *  0.4887% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.67 A violated in 11 structures by 0.86 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.79, residual support = 38.7:
      O   HB3   ASP-  44 - HN    ASP-  44   3.38 +/- 0.37  98.687% * 99.1884% (0.99  10.0   3.79  38.66) =  99.999%  kept
          HB2   LEU   63 - HN    ASP-  44   9.11 +/- 1.12   0.460% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44   9.48 +/- 1.21   0.310% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.95 +/- 1.59   0.246% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  12.95 +/- 2.87   0.072% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  12.03 +/- 0.85   0.061% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.50 +/- 0.90   0.047% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  12.06 +/- 0.98   0.075% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  16.58 +/- 1.45   0.009% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.24 +/- 1.19   0.006% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.63 +/- 0.77   0.012% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.71 +/- 1.26   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.43 +/- 1.25   0.005% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.94 +/- 0.90   0.005% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.22, residual support = 15.7:
          QG1   VAL   43 - HN    ASP-  44   4.05 +/- 0.48  84.812% * 97.7905% (0.90   4.23  15.67) =  99.911%  kept
          QG2   VAL   18 - HN    ASP-  44   6.37 +/- 0.69   7.687% *  0.5146% (1.00   0.02   0.02) =   0.048%
          QG2   THR   46 - HN    ASP-  44   6.68 +/- 0.50   5.241% *  0.5112% (0.99   0.02   0.02) =   0.032%
          QG1   VAL   41 - HN    ASP-  44   8.59 +/- 0.51   1.112% *  0.3745% (0.73   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ASP-  44   9.60 +/- 0.64   0.615% *  0.3942% (0.76   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    ASP-  44  10.22 +/- 0.96   0.407% *  0.1021% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ASP-  44  12.70 +/- 1.09   0.126% *  0.3128% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.7:
          QG2   VAL   43 - HN    ASP-  44   2.79 +/- 0.34  99.468% * 99.0028% (0.65   3.71  15.67) =  99.998%  kept
          QD2   LEU   31 - HN    ASP-  44   7.90 +/- 0.89   0.289% *  0.6307% (0.76   0.02   0.02) =   0.002%
          QG2   VAL   83 - HN    ASP-  44   8.63 +/- 1.08   0.155% *  0.2547% (0.31   0.02   0.02) =   0.000%
          QD1   ILE   89 - HN    ASP-  44   9.54 +/- 0.55   0.088% *  0.1117% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.36 +/- 0.09  89.557% * 36.5033% (0.53   0.02   0.02) =  92.983%  kept
          HA    THR   23 - HN    VAL   43  12.50 +/- 1.19   9.326% * 21.4145% (0.31   0.02   0.02) =   5.681%  kept
          HA    ASP-  78 - HN    VAL   43  17.44 +/- 0.69   1.117% * 42.0822% (0.61   0.02   0.02) =   1.337%  kept
    Distance limit 4.57 A violated in 20 structures by 3.64 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   4.46 +/- 0.44 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.57 A violated in 1 structures by 0.14 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   3.01 +/- 0.47  99.686% * 97.4132% (0.97   2.96  16.41) =  99.999%  kept
          HB    VAL   70 - HN    VAL   43  10.12 +/- 0.60   0.093% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   9.37 +/- 0.87   0.165% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.79 +/- 0.90   0.019% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.37 +/- 1.08   0.014% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.02 +/- 0.63   0.015% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  15.88 +/- 0.73   0.008% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 60.9:
      O   HB    VAL   43 - HN    VAL   43   2.57 +/- 0.24  99.965% * 99.7821% (0.87  10.0   4.23  60.89) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.59 +/- 0.90   0.028% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  14.62 +/- 1.06   0.004% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  19.67 +/- 1.35   0.001% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.15 +/- 0.72   0.003% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.827, support = 5.28, residual support = 36.8:
          HB    VAL   42 - HN    VAL   43   4.30 +/- 0.14  50.863% * 69.7208% (0.84   5.59  39.00) =  92.878%  kept
          HB3   LEU   73 - HN    VAL   43   6.17 +/- 1.22  10.981% * 16.7097% (0.90   1.25   8.05) =   4.806%  kept
          HG    LEU   98 - HN    VAL   43   6.03 +/- 1.63  14.475% *  3.1941% (0.49   0.44   0.02) =   1.211%  kept
          HB3   ASP-  44 - HN    VAL   43   6.52 +/- 0.49   4.905% *  8.3334% (0.25   2.24  15.67) =   1.071%  kept
          QB    LEU   98 - HN    VAL   43   5.56 +/- 0.92  16.487% *  0.0523% (0.18   0.02   0.02) =   0.023%
          HG3   LYS+ 106 - HN    VAL   43   8.55 +/- 0.93   1.213% *  0.2979% (1.00   0.02   0.02) =   0.009%
          HB3   PRO   93 - HN    VAL   43  11.08 +/- 1.09   0.207% *  0.1931% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43   9.13 +/- 1.00   0.681% *  0.0523% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.83 +/- 0.94   0.048% *  0.2756% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  14.30 +/- 0.95   0.039% *  0.2281% (0.76   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   43  14.45 +/- 1.18   0.038% *  0.1811% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.29 +/- 0.95   0.027% *  0.2494% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.36 +/- 0.88   0.009% *  0.2881% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.01 +/- 1.42   0.021% *  0.1120% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.47 +/- 1.07   0.004% *  0.1120% (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 = 5.21, residual support = 60.9:
          QG1   VAL   43 - HN    VAL   43   2.55 +/- 0.47  98.907% * 98.1986% (0.90   5.21  60.89) =  99.997%  kept
          QG1   VAL   41 - HN    VAL   43   6.40 +/- 0.45   0.668% *  0.3054% (0.73   0.02   1.90) =   0.002%
          QG2   VAL   18 - HN    VAL   43   8.60 +/- 0.67   0.116% *  0.4196% (1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   43   9.12 +/- 1.06   0.130% *  0.2551% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43  10.15 +/- 0.51   0.044% *  0.4168% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.68 +/- 0.85   0.030% *  0.3214% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   8.80 +/- 1.00   0.105% *  0.0832% (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 = 0.712, support = 2.16, residual support = 2.13:
          QG2   VAL   41 - HN    VAL   43   4.81 +/- 0.59  35.852% * 89.4623% (0.73   2.26   1.90) =  95.275%  kept
          QD1   LEU   73 - HN    VAL   43   5.45 +/- 0.72  17.562% *  7.4723% (0.45   0.31   8.05) =   3.898%  kept
          QD2   LEU   98 - HN    VAL   43   4.99 +/- 1.22  34.363% *  0.5739% (0.53   0.02   0.02) =   0.586%  kept
          QD2   LEU   63 - HN    VAL   43   7.30 +/- 1.16   3.973% *  1.0692% (0.98   0.02   0.02) =   0.126%
          QD1   LEU   63 - HN    VAL   43   6.72 +/- 1.38   7.517% *  0.4890% (0.45   0.02   0.02) =   0.109%
          QD1   LEU   80 - HN    VAL   43  14.12 +/- 3.79   0.119% *  0.5739% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    VAL   43  12.67 +/- 4.06   0.333% *  0.1683% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   43  11.02 +/- 1.15   0.281% *  0.1910% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 39.0:
          QG1   VAL   42 - HN    VAL   43   2.51 +/- 0.27  99.924% * 99.2481% (0.97   5.15  39.00) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.80 +/- 0.83   0.068% *  0.0790% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  12.74 +/- 0.70   0.007% *  0.3985% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.74 +/- 1.37   0.001% *  0.2743% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.775, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.88 +/- 0.90  83.537% * 27.6841% (0.73   0.02   0.02) =  79.348%  kept
          QG2   VAL   83 - HN    VAL   43  10.36 +/- 1.74   9.923% * 38.1246% (1.00   0.02   0.02) =  12.980%  kept
          QD1   ILE   89 - HN    VAL   43  10.80 +/- 0.61   6.540% * 34.1913% (0.90   0.02   0.02) =   7.672%  kept
    Distance limit 4.05 A violated in 20 structures by 2.61 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.933, support = 5.22, residual support = 23.5:
          HB    VAL   41 - HN    VAL   42   4.15 +/- 0.27  70.282% * 88.1613% (0.97   5.34  24.50) =  95.670%  kept
          HB2   LEU   71 - HN    VAL   42   4.91 +/- 0.52  28.169% *  9.9449% (0.22   2.61   2.25) =   4.325%  kept
          HG12  ILE  103 - HN    VAL   42   9.83 +/- 0.60   0.445% *  0.3421% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  11.30 +/- 0.96   0.221% *  0.2858% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   42  11.47 +/- 0.83   0.180% *  0.1167% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  15.11 +/- 2.75   0.063% *  0.3068% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  11.16 +/- 0.90   0.233% *  0.0528% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  12.35 +/- 0.55   0.113% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.95 +/- 0.47   0.135% *  0.0677% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.65 +/- 1.48   0.119% *  0.0762% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.17 +/- 1.34   0.027% *  0.1937% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  19.82 +/- 1.42   0.008% *  0.3068% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  20.54 +/- 1.23   0.005% *  0.0599% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.5, residual support = 88.7:
      O   HB    VAL   42 - HN    VAL   42   2.56 +/- 0.24  94.621% * 99.1706% (0.98  10.0   5.50  88.69) =  99.995%  kept
          HB3   LEU   73 - HN    VAL   42   5.63 +/- 1.06   3.633% *  0.0957% (0.95   1.0   0.02   1.21) =   0.004%
          QB    LEU   98 - HN    VAL   42   5.58 +/- 0.71   1.301% *  0.0573% (0.57   1.0   0.02   0.48) =   0.001%
          HG    LEU   98 - HN    VAL   42   7.07 +/- 1.00   0.338% *  0.0137% (0.14   1.0   0.02   0.48) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  11.07 +/- 1.17   0.022% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.55 +/- 1.10   0.020% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.13 +/- 0.69   0.033% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  13.75 +/- 0.82   0.005% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.96 +/- 0.99   0.004% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  13.21 +/- 2.36   0.014% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  17.15 +/- 1.06   0.001% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.18 +/- 1.28   0.004% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  17.19 +/- 3.01   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.93 +/- 1.20   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  16.98 +/- 1.03   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 0.981, residual support = 1.42:
          QD1   LEU   40 - HN    VAL   42   4.77 +/- 0.46  92.653% * 97.3942% (0.98   0.98   1.42) =  99.872%  kept
          QD2   LEU   67 - HN    VAL   42   8.26 +/- 1.21   6.774% *  1.6206% (0.80   0.02   0.02) =   0.122%
          QG1   VAL  108 - HN    VAL   42  13.70 +/- 1.59   0.572% *  0.9851% (0.49   0.02   0.02) =   0.006%
    Distance limit 4.53 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.91, residual support = 30.9:
          QG1   VAL   41 - HN    VAL   42   4.19 +/- 0.32  52.943% * 49.2848% (0.73   5.34  24.50) =  55.870%  kept
          QG1   VAL   43 - HN    VAL   42   4.43 +/- 0.57  41.356% * 49.8110% (0.90   4.37  39.00) =  44.108%  kept
          QG2   VAL   18 - HN    VAL   42   7.51 +/- 0.82   2.122% *  0.2536% (1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    VAL   42   8.02 +/- 1.05   1.518% *  0.1942% (0.76   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    VAL   42   9.09 +/- 0.99   0.674% *  0.1542% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   8.06 +/- 0.89   1.273% *  0.0503% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.76 +/- 0.56   0.115% *  0.2519% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 6.02, residual support = 24.3:
          QG2   VAL   41 - HN    VAL   42   3.18 +/- 0.56  80.214% * 93.8726% (0.73   6.07  24.50) =  99.168%  kept
          QD1   LEU   73 - HN    VAL   42   4.64 +/- 0.46  12.437% *  4.9305% (0.45   0.52   1.21) =   0.808%  kept
          QD2   LEU   98 - HN    VAL   42   5.79 +/- 0.85   4.753% *  0.2241% (0.53   0.02   0.48) =   0.014%
          QD2   LEU   63 - HN    VAL   42   7.01 +/- 1.17   1.306% *  0.4175% (0.98   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    VAL   42   7.32 +/- 1.29   1.215% *  0.1910% (0.45   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    VAL   42  15.50 +/- 3.77   0.014% *  0.2241% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.61 +/- 1.43   0.030% *  0.0746% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  14.04 +/- 3.85   0.030% *  0.0657% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 88.7:
          QG1   VAL   42 - HN    VAL   42   3.72 +/- 0.18  99.974% * 99.2615% (0.87   5.46  88.69) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.30 +/- 0.50   0.022% *  0.3203% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.29 +/- 1.52   0.004% *  0.4182% (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 = 0.602, support = 5.32, residual support = 87.9:
          QG2   VAL   42 - HN    VAL   42   2.71 +/- 0.44  84.927% * 94.7382% (0.61   5.36  88.69) =  99.084%  kept
          QG2   VAL   70 - HN    VAL   42   3.83 +/- 0.27  14.862% *  5.0006% (0.14   1.27   1.19) =   0.915%  kept
          QG2   VAL   75 - HN    VAL   42   7.84 +/- 0.69   0.211% *  0.2612% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 74.7:
      O   HB    VAL   41 - HN    VAL   41   2.97 +/- 0.44  95.825% * 99.3523% (0.90  10.0   4.37  74.75) =  99.997%  kept
          HB2   LEU   71 - HN    VAL   41   5.88 +/- 0.97   3.368% *  0.0672% (0.61   1.0   0.02   3.03) =   0.002%
          HG12  ILE  103 - HN    VAL   41   7.84 +/- 0.51   0.397% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   8.13 +/- 1.04   0.358% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.90 +/- 1.19   0.020% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  15.63 +/- 3.13   0.012% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.85 +/- 0.66   0.008% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.06 +/- 1.25   0.002% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.30 +/- 1.20   0.009% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  22.84 +/- 1.41   0.001% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.179, support = 3.86, residual support = 20.6:
          HG    LEU   40 - HN    VAL   41   3.51 +/- 0.56  96.658% * 61.7269% (0.18   3.89  20.83) =  99.101%  kept
          HG    LEU   73 - HN    VAL   41   7.30 +/- 0.97   2.107% * 24.9404% (0.61   0.45   0.02) =   0.873%  kept
          HB3   LEU   67 - HN    VAL   41   9.67 +/- 0.93   0.399% *  1.7158% (0.95   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    VAL   41  12.07 +/- 1.79   0.204% *  1.6267% (0.90   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    VAL   41   9.80 +/- 1.56   0.349% *  0.8829% (0.49   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    VAL   41  12.44 +/- 2.72   0.154% *  0.6187% (0.34   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    VAL   41  14.08 +/- 1.49   0.038% *  1.4524% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.66 +/- 0.47   0.026% *  1.8098% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    VAL   41  14.20 +/- 0.75   0.033% *  0.5598% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.60 +/- 1.00   0.009% *  1.7158% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  20.56 +/- 4.35   0.006% *  1.7504% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  20.24 +/- 3.24   0.006% *  0.8829% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  16.51 +/- 0.66   0.013% *  0.3177% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.827, support = 1.48, residual support = 8.25:
          QB    ALA   34 - HN    VAL   41   4.29 +/- 0.47  70.563% * 73.9545% (0.90   1.48   9.27) =  88.789%  kept
          QG2   THR   39 - HN    VAL   41   5.21 +/- 0.59  28.635% * 22.9932% (0.28   1.49   0.17) =  11.202%  kept
          HG3   LYS+  38 - HN    VAL   41   9.82 +/- 0.99   0.663% *  0.5852% (0.53   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    VAL   41  15.24 +/- 1.09   0.042% *  1.1025% (0.99   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    VAL   41  15.23 +/- 1.32   0.046% *  0.8077% (0.73   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    VAL   41  15.38 +/- 0.56   0.037% *  0.2476% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.40 +/- 1.29   0.014% *  0.3093% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.74, residual support = 20.8:
          QD2   LEU   40 - HN    VAL   41   2.21 +/- 0.51  99.478% * 97.8586% (0.92   4.74  20.83) =  99.998%  kept
          QD2   LEU   71 - HN    VAL   41   7.47 +/- 1.03   0.211% *  0.2892% (0.65   0.02   3.03) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.19 +/- 0.49   0.107% *  0.4431% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   41   8.32 +/- 1.36   0.069% *  0.4229% (0.95   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    VAL   41   8.11 +/- 0.78   0.119% *  0.2352% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  12.96 +/- 1.65   0.008% *  0.1525% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.44 +/- 0.67   0.002% *  0.4461% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.16 +/- 0.77   0.006% *  0.1525% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.56, residual support = 74.7:
          QG1   VAL   41 - HN    VAL   41   2.41 +/- 0.56  95.450% * 98.2166% (1.00   4.56  74.75) =  99.990%  kept
          QG1   VAL   43 - HN    VAL   41   6.09 +/- 0.64   0.918% *  0.4074% (0.95   0.02   1.90) =   0.004%
          QD2   LEU   73 - HN    VAL   41   6.07 +/- 0.70   1.740% *  0.1931% (0.45   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    VAL   41   7.79 +/- 1.15   0.485% *  0.2612% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   41   6.37 +/- 0.79   1.288% *  0.0852% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    VAL   41  10.06 +/- 1.22   0.084% *  0.1329% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  10.93 +/- 0.81   0.028% *  0.3291% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  15.07 +/- 0.58   0.003% *  0.2786% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  14.92 +/- 1.27   0.003% *  0.0959% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.717, support = 4.23, residual support = 72.5:
          QG2   VAL   41 - HN    VAL   41   3.43 +/- 0.65  80.033% * 79.5131% (0.73   4.37  74.75) =  95.290%  kept
          QD2   LEU   98 - HN    VAL   41   4.74 +/- 0.58  16.400% * 19.1182% (0.53   1.45  26.28) =   4.695%  kept
          QD1   LEU   73 - HN    VAL   41   6.49 +/- 0.73   2.526% *  0.2246% (0.45   0.02   0.02) =   0.008%
          QD2   LEU   63 - HN    VAL   41   8.55 +/- 1.04   0.647% *  0.4910% (0.98   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    VAL   41   9.44 +/- 1.17   0.340% *  0.2246% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  17.91 +/- 3.98   0.011% *  0.2635% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.23 +/- 1.27   0.024% *  0.0877% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  16.55 +/- 4.15   0.019% *  0.0773% (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 = 2.72, residual support = 2.72:
          QG2   VAL   70 - HN    VAL   41   4.28 +/- 0.20  99.231% * 98.4473% (0.18   2.72   2.72) =  99.988%  kept
          QG2   THR  118 - HN    VAL   41  10.12 +/- 1.15   0.769% *  1.5527% (0.38   0.02   0.02) =   0.012%
    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 = 0.312, support = 1.55, residual support = 33.9:
          HA    VAL   70 - HN    LEU   40   3.26 +/- 0.82  94.750% * 38.2112% (0.28   1.60  35.81) =  94.611%  kept
          HB2   SER   37 - HN    LEU   40   6.64 +/- 1.50   3.407% * 59.6217% (0.92   0.75   0.02) =   5.308%  kept
          HA1   GLY   16 - HN    LEU   40  10.41 +/- 1.91   1.839% *  1.6882% (0.98   0.02   0.02) =   0.081%
          HA    GLN  116 - HN    LEU   40  18.54 +/- 1.54   0.005% *  0.4789% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.07 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   3.24 +/- 0.61  97.979% * 94.9766% (0.41   3.92  24.15) =  99.992%  kept
          HB3   SER   37 - HN    LEU   40   6.85 +/- 1.16   1.902% *  0.3278% (0.28   0.02   0.02) =   0.007%
          HA    GLN   30 - HN    LEU   40  11.28 +/- 0.68   0.082% *  1.1152% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  13.97 +/- 1.97   0.034% *  0.5286% (0.45   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  22.94 +/- 0.88   0.001% *  0.6675% (0.57   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  25.81 +/- 2.71   0.001% *  0.9010% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.92 +/- 1.24   0.000% *  1.1556% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  25.43 +/- 0.75   0.001% *  0.3278% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.553, support = 0.742, residual support = 10.9:
          QE    LYS+  99 - HN    LEU   40   4.50 +/- 0.55  91.924% * 52.6883% (0.57   0.73  11.53) =  94.873%  kept
          QE    LYS+  38 - HN    LEU   40   8.26 +/- 1.60   6.542% * 39.5461% (0.31   1.00   0.02) =   5.068%  kept
          HB2   PHE   97 - HN    LEU   40  10.35 +/- 1.07   0.843% *  2.4644% (0.97   0.02   1.46) =   0.041%
          HB3   TRP   27 - HN    LEU   40  13.52 +/- 0.85   0.170% *  2.5030% (0.98   0.02   0.02) =   0.008%
          QE    LYS+ 106 - HN    LEU   40  14.48 +/- 1.86   0.282% *  1.4457% (0.57   0.02   0.02) =   0.008%
          QE    LYS+ 102 - HN    LEU   40  13.14 +/- 0.96   0.179% *  0.3940% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  15.76 +/- 1.07   0.060% *  0.9584% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.76 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 = 4.73, residual support = 105.9:
      O   HB2   LEU   40 - HN    LEU   40   2.53 +/- 0.36  99.974% * 99.7221% (0.97  10.0   4.73 105.90) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  12.93 +/- 1.11   0.010% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.47 +/- 1.35   0.005% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  13.14 +/- 1.31   0.011% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.44 +/- 1.93   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.54 +/- 1.05   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.62, support = 4.97, residual support = 105.9:
      O   HB3   LEU   40 - HN    LEU   40   2.76 +/- 0.34  89.874% * 68.9595% (0.61  10.0   4.93 105.90) =  95.601%  kept
          HG    LEU   40 - HN    LEU   40   4.26 +/- 0.32   9.359% * 30.4696% (0.92   1.0   5.81 105.90) =   4.399%  kept
          HG    LEU   67 - HN    LEU   40   8.44 +/- 1.41   0.268% *  0.1114% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   7.55 +/- 1.08   0.385% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.46 +/- 0.87   0.075% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.28 +/- 1.71   0.018% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.60 +/- 1.70   0.005% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.75 +/- 1.40   0.014% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.38 +/- 0.61   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.66 +/- 1.39   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.295, support = 3.77, residual support = 23.5:
          QG2   THR   39 - HN    LEU   40   2.38 +/- 0.56  97.569% * 41.0702% (0.28   3.83  24.15) =  97.216%  kept
          QB    ALA   34 - HN    LEU   40   5.11 +/- 0.49   2.017% * 56.8146% (0.90   1.64   0.02) =   2.780%  kept
          HG3   LYS+  38 - HN    LEU   40   8.23 +/- 1.22   0.409% *  0.4055% (0.53   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    LEU   40  16.95 +/- 1.35   0.002% *  0.5597% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  17.26 +/- 0.87   0.001% *  0.7640% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.05 +/- 0.43   0.001% *  0.1716% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  20.99 +/- 1.08   0.000% *  0.2143% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.852, support = 1.41, residual support = 31.9:
          QG1   VAL   70 - HN    LEU   40   3.51 +/- 0.98  80.307% * 63.2707% (0.84   1.50  35.81) =  88.720%  kept
          QD1   LEU   71 - HN    LEU   40   5.81 +/- 1.20  19.087% * 33.8217% (0.98   0.68   1.44) =  11.272%  kept
          HB3   LEU  104 - HN    LEU   40  10.40 +/- 0.95   0.188% *  0.9323% (0.92   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    LEU   40  11.93 +/- 2.66   0.149% *  0.9900% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LEU   40  10.97 +/- 0.91   0.120% *  0.7334% (0.73   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   40  10.83 +/- 0.94   0.150% *  0.2518% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.55, support = 4.85, residual support = 100.4:
          QD2   LEU   40 - HN    LEU   40   4.20 +/- 0.18  82.672% * 69.5535% (0.53   5.06 105.90) =  94.767%  kept
          QD2   LEU   71 - HN    LEU   40   6.05 +/- 0.62  11.077% * 28.4906% (0.98   1.11   1.44) =   5.201%  kept
          QD1   LEU   67 - HN    LEU   40   7.11 +/- 0.96   5.635% *  0.2960% (0.57   0.02   0.02) =   0.027%
          QD1   ILE  103 - HN    LEU   40  11.65 +/- 0.78   0.217% *  0.4826% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.30 +/- 0.57   0.234% *  0.3591% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  12.95 +/- 1.88   0.144% *  0.3995% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  16.76 +/- 0.79   0.022% *  0.4186% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.06, residual support = 35.8:
          QG2   VAL   70 - HN    LEU   40   2.82 +/- 0.60 100.000% *100.0000% (0.57   6.06  35.81) = 100.000%  kept
    Distance limit 4.43 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 = 0.256, support = 1.36, residual support = 2.79:
          HA    ALA   34 - HN    THR   39   3.36 +/- 0.41  98.073% * 22.4711% (0.22   1.37   2.96) =  94.190%  kept
          HA    GLU-  36 - HN    THR   39   6.73 +/- 0.13   1.877% * 72.3992% (0.80   1.23   0.02) =   5.809%  kept
          HA    ASN   28 - HN    THR   39  13.13 +/- 0.72   0.041% *  0.5540% (0.38   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    THR   39  19.72 +/- 3.20   0.006% *  1.4245% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.67 +/- 1.02   0.002% *  0.5035% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.64 +/- 1.31   0.000% *  1.3238% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  28.88 +/- 2.16   0.000% *  1.3238% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 2.63, residual support = 6.4:
          HA    SER   37 - HN    THR   39   4.27 +/- 0.85  79.110% * 49.5474% (0.90   2.46   2.12) =  80.581%  kept
          HA    LEU   40 - HN    THR   39   5.46 +/- 0.24  19.522% * 48.3636% (0.65   3.33  24.15) =  19.410%  kept
          HA    GLU-  15 - HN    THR   39  11.86 +/- 2.06   0.852% *  0.3748% (0.84   0.02   0.02) =   0.007%
          HA    GLN   17 - HN    THR   39  15.15 +/- 2.05   0.138% *  0.4024% (0.90   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  11.15 +/- 0.55   0.285% *  0.1531% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  14.63 +/- 1.87   0.086% *  0.3748% (0.84   0.02   0.02) =   0.001%
          HA    THR   46 - HN    THR   39  23.20 +/- 0.97   0.003% *  0.4245% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.44 +/- 1.20   0.003% *  0.3593% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 3.84, residual support = 38.5:
      O   HB    THR   39 - HN    THR   39   2.68 +/- 0.41  64.519% * 93.6081% (0.41  10.0   3.91  39.72) =  96.889%  kept
          HB3   SER   37 - HN    THR   39   3.20 +/- 1.05  35.353% *  5.4850% (0.28   1.0   1.73   2.12) =   3.111%  kept
          HA    GLN   30 - HN    THR   39   9.76 +/- 0.92   0.113% *  0.2154% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  13.74 +/- 2.55   0.015% *  0.1021% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  26.49 +/- 3.19   0.000% *  0.1740% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.25 +/- 1.18   0.000% *  0.1289% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.21 +/- 1.28   0.000% *  0.2232% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  27.61 +/- 1.21   0.000% *  0.0633% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.635, support = 3.98, residual support = 31.0:
          QG2   THR   39 - HN    THR   39   3.05 +/- 0.59  71.622% * 21.2956% (0.49   3.77  39.72) =  61.170%  kept
          HG3   LYS+  38 - HN    THR   39   4.91 +/- 0.91   9.805% * 54.9429% (0.76   6.19  28.84) =  21.605%  kept
          QB    ALA   34 - HN    THR   39   4.04 +/- 0.40  18.524% * 23.1863% (1.00   2.00   2.96) =  17.225%  kept
          HG13  ILE   19 - HN    THR   39  11.62 +/- 1.82   0.045% *  0.0460% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.38 +/- 1.21   0.003% *  0.2016% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.05 +/- 1.52   0.001% *  0.2145% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.27 +/- 1.23   0.000% *  0.1131% (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 = 6.64, residual support = 220.6:
      O   HA    LYS+  38 - HN    LYS+  38   2.29 +/- 0.21  98.669% * 99.7734% (0.80  10.0   6.64 220.62) =  99.999%  kept
          HA    GLU- 100 - HN    LYS+  38   5.52 +/- 1.65   1.330% *  0.0705% (0.57   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    LYS+  38  16.81 +/- 0.73   0.001% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  25.40 +/- 2.54   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.16 +/- 1.07   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 220.6:
      O   HB2   LYS+  38 - HN    LYS+  38   3.16 +/- 0.23  99.906% * 99.7624% (1.00  10.0   5.63 220.62) = 100.000%  kept
          HB    VAL   70 - HN    LYS+  38  11.64 +/- 0.78   0.046% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.89 +/- 1.13   0.011% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  12.98 +/- 0.99   0.023% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.82 +/- 2.36   0.011% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.23 +/- 0.94   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  31.95 +/- 0.89   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 = 220.6:
      O   HB3   LYS+  38 - HN    LYS+  38   4.01 +/- 0.12  92.516% * 99.4497% (0.90  10.0   5.20 220.62) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.24 +/- 0.46   7.005% *  0.0219% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LYS+  38  10.29 +/- 1.16   0.449% *  0.1099% (0.99   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  17.12 +/- 1.22   0.018% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.94 +/- 2.69   0.007% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  27.55 +/- 0.92   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.51 +/- 1.25   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.65 +/- 1.01   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  27.50 +/- 2.63   0.001% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  31.89 +/- 0.96   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 = 220.6:
          HG2   LYS+  38 - HN    LYS+  38   3.48 +/- 0.27  97.562% * 98.4050% (0.65   5.86 220.62) =  99.993%  kept
          HG2   LYS+  99 - HN    LYS+  38   7.84 +/- 1.46   2.216% *  0.2731% (0.53   0.02   0.02) =   0.006%
          HB2   LEU   31 - HN    LYS+  38   9.81 +/- 0.21   0.212% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.78 +/- 0.69   0.002% *  0.4910% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.50 +/- 1.23   0.007% *  0.0801% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  27.02 +/- 1.38   0.001% *  0.4910% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  29.23 +/- 1.88   0.000% *  0.1443% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 28.8:
          HB2   LYS+  38 - HN    THR   39   3.82 +/- 0.62  99.095% * 99.1253% (1.00   5.40  28.84) =  99.999%  kept
          HB    VAL   70 - HN    THR   39   8.97 +/- 0.87   0.756% *  0.0727% (0.20   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    THR   39  15.65 +/- 1.29   0.030% *  0.2667% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  13.79 +/- 0.83   0.058% *  0.1253% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  13.88 +/- 2.23   0.053% *  0.0916% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  19.53 +/- 0.91   0.007% *  0.1253% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  30.88 +/- 1.07   0.000% *  0.1932% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.44, residual support = 26.6:
      O   HB3   SER   37 - HN    SER   37   2.51 +/- 0.15  98.848% * 99.5080% (0.99  10.0   3.44  26.57) =  99.999%  kept
          HB    THR   39 - HN    SER   37   5.55 +/- 0.65   1.016% *  0.0995% (0.99   1.0   0.02   2.12) =   0.001%
          HA    GLN   30 - HN    SER   37   8.34 +/- 0.82   0.127% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  14.44 +/- 2.73   0.009% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  22.94 +/- 1.18   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  26.12 +/- 3.37   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  28.62 +/- 1.26   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.26 +/- 1.25   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   3.41 +/- 0.20  98.587% * 98.3040% (1.00   3.72  19.44) =  99.998%  kept
          HG3   GLU- 100 - HN    SER   37   7.89 +/- 1.73   1.305% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.62 +/- 0.98   0.077% *  0.4587% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.63 +/- 1.14   0.029% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  24.57 +/- 1.87   0.001% *  0.5241% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  32.04 +/- 0.89   0.000% *  0.3632% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 3.96, residual support = 13.5:
          HG2   LYS+  38 - HN    SER   37   4.91 +/- 0.15  96.880% * 96.9530% (0.38   3.96  13.54) =  99.988%  kept
          HG2   LYS+  99 - HN    SER   37   9.47 +/- 1.27   3.033% *  0.3626% (0.28   0.02   0.02) =   0.012%
          QG2   THR   23 - HN    SER   37  16.81 +/- 1.12   0.066% *  0.4448% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  20.80 +/- 0.62   0.017% *  1.2926% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  27.13 +/- 1.41   0.004% *  0.9470% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.36 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 52.0:
          HB2   ASN   35 - HN    GLU-  36   3.50 +/- 0.22  94.028% * 97.9497% (0.65   6.05  52.00) =  99.972%  kept
          QE    LYS+  33 - HN    GLU-  36   6.17 +/- 0.87   5.920% *  0.4340% (0.87   0.02   0.02) =   0.028%
          HB2   ASN   28 - HN    GLU-  36  12.48 +/- 0.34   0.048% *  0.4732% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  22.33 +/- 1.39   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  25.70 +/- 2.64   0.001% *  0.4732% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  28.24 +/- 1.45   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 86.8:
          HG2   GLU-  36 - HN    GLU-  36   3.66 +/- 0.48  99.986% * 99.4363% (0.97   4.86  86.76) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.04 +/- 1.24   0.013% *  0.3393% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.92 +/- 0.85   0.001% *  0.1590% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  30.37 +/- 1.57   0.000% *  0.0654% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.8:
      O   QB    GLU-  36 - HN    GLU-  36   2.17 +/- 0.08  99.933% * 99.6951% (0.90  10.0   7.31  86.76) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   8.70 +/- 1.66   0.053% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36  10.23 +/- 0.68   0.010% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  12.20 +/- 0.84   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  24.11 +/- 1.96   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.61 +/- 0.65   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  31.78 +/- 1.01   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 86.8:
          HG3   GLU-  36 - HN    GLU-  36   3.90 +/- 0.41  99.758% * 97.3290% (0.65   4.86  86.76) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  12.71 +/- 2.42   0.138% *  0.2774% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  18.80 +/- 2.53   0.017% *  0.5549% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  15.52 +/- 2.36   0.043% *  0.1910% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.52 +/- 0.63   0.028% *  0.1543% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.77 +/- 0.85   0.009% *  0.2110% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  23.80 +/- 1.58   0.002% *  0.3012% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  24.99 +/- 1.89   0.002% *  0.3503% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  29.36 +/- 1.95   0.001% *  0.4002% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  28.13 +/- 1.22   0.001% *  0.1224% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.84 +/- 1.35   0.000% *  0.1084% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.216, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   5.90 +/- 1.59  98.169% * 14.8773% (0.20   0.02   0.02) =  94.935%  kept
          HB2   TRP   27 - HD22  ASN   35  14.36 +/- 1.25   1.789% * 42.5614% (0.57   0.02   0.02) =   4.949%  kept
          HD2   PRO   93 - HD22  ASN   35  27.04 +/- 2.02   0.042% * 42.5614% (0.57   0.02   0.02) =   0.116%
    Distance limit 4.84 A violated in 11 structures by 1.27 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.65 +/- 0.23  99.641% * 99.5004% (0.76  10.0   3.60  55.51) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.55 +/- 1.00   0.248% *  0.0995% (0.76   1.0   0.02   1.35) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  12.12 +/- 0.98   0.106% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  23.48 +/- 3.54   0.003% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.76 +/- 1.71   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  28.49 +/- 2.35   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 1.58, residual support = 6.2:
          HA    GLN   32 - HD21  ASN   35   3.78 +/- 0.60  96.473% * 54.0679% (0.76   1.59   6.31) =  97.837%  kept
          HA    LYS+  33 - HD21  ASN   35   6.99 +/- 0.50   2.811% * 40.8448% (0.69   1.33   1.35) =   2.153%  kept
          HA    GLU-  29 - HD21  ASN   35   8.94 +/- 0.75   0.650% *  0.7444% (0.83   0.02   0.02) =   0.009%
          HA    VAL   70 - HD21  ASN   35  14.08 +/- 1.47   0.050% *  0.3345% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  18.08 +/- 1.85   0.011% *  0.7730% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  24.03 +/- 4.54   0.002% *  0.8227% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  28.29 +/- 2.73   0.001% *  0.7136% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  29.49 +/- 1.55   0.001% *  0.8601% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  27.01 +/- 2.31   0.001% *  0.3345% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.05 +/- 1.53   0.000% *  0.5046% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD21  ASN   35   2.55 +/- 0.49  99.841% * 99.3188% (0.61  10.0   3.60  55.51) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.20 +/- 1.01   0.122% *  0.1469% (0.90   1.0   0.02   1.35) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  11.02 +/- 0.84   0.037% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  23.10 +/- 3.42   0.001% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  24.19 +/- 1.70   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  27.67 +/- 2.31   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 = 0.646, support = 4.16, residual support = 44.3:
      O   HA    GLN   32 - HN    GLN   32   2.75 +/- 0.04  80.369% * 77.3767% (0.65  10.0   4.17  44.60) =  99.147%  kept
          HA    LYS+  33 - HN    GLN   32   5.25 +/- 0.09   1.681% * 21.0206% (0.80   1.0   4.39  11.70) =   0.564%  kept
          HA    GLU-  29 - HN    GLN   32   3.54 +/- 0.16  17.939% *  1.0128% (0.92   1.0   0.18   0.02) =   0.290%
          HA    VAL   18 - HN    GLN   32  14.91 +/- 0.92   0.003% *  0.1131% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.75 +/- 0.83   0.005% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  19.93 +/- 4.06   0.001% *  0.1172% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  25.69 +/- 1.22   0.000% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  25.40 +/- 2.33   0.000% *  0.0822% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  26.98 +/- 1.39   0.000% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.40 +/- 1.34   0.000% *  0.0536% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 149.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.01  95.839% * 99.4322% (0.87  10.0   5.60 149.94) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   5.15 +/- 0.59   3.786% *  0.0832% (0.73   1.0   0.02   0.02) =   0.003%
          HB2   SER   37 - HN    LYS+  33   7.63 +/- 0.69   0.344% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  12.15 +/- 1.15   0.019% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.90 +/- 0.90   0.008% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  16.51 +/- 1.79   0.003% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  21.72 +/- 3.75   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  26.74 +/- 1.19   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.39 +/- 1.18   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.385, support = 3.9, residual support = 24.6:
      O   HA    ASN   28 - HN    GLU-  29   3.64 +/- 0.01  35.112% * 73.1702% (0.18  10.0   5.12  34.33) =  70.599%  kept
          HA    THR   26 - HN    GLU-  29   3.41 +/- 0.14  53.086% * 18.5905% (0.95   1.0   0.94   1.23) =  27.119%  kept
          HA    GLU-  25 - HN    GLU-  29   4.52 +/- 0.42  11.702% *  7.0953% (0.22   1.0   1.53   0.02) =   2.282%  kept
          HA    ALA   34 - HN    GLU-  29  10.95 +/- 0.62   0.052% *  0.1290% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  13.84 +/- 2.35   0.021% *  0.2034% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.25 +/- 0.53   0.025% *  0.1718% (0.41   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  23.99 +/- 0.94   0.000% *  0.2870% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.32 +/- 1.62   0.000% *  0.2703% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  24.88 +/- 1.02   0.000% *  0.0827% (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 = 4.33, residual support = 105.4:
      O   HB2   ASN   28 - HD22  ASN   28   3.95 +/- 0.14  99.471% * 99.6000% (0.95  10.0   4.33 105.38) = 100.000%  kept
          HB2   ASP-  86 - HD22  ASN   28  12.05 +/- 2.91   0.255% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  11.99 +/- 0.99   0.147% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  12.68 +/- 1.06   0.104% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  16.67 +/- 1.81   0.021% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  21.91 +/- 1.28   0.004% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.98, residual support = 155.0:
      O   HG2   GLN   30 - HE21  GLN   30   3.77 +/- 0.40  99.667% * 99.8337% (0.61  10.0   3.98 155.00) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.23 +/- 0.65   0.312% *  0.1375% (0.84   1.0   0.02   9.20) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  17.64 +/- 2.92   0.021% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 155.0:
      O   HG2   GLN   30 - HE22  GLN   30   3.01 +/- 0.30  99.797% * 99.8337% (0.61  10.0   4.03 155.00) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   8.92 +/- 0.64   0.198% *  0.1375% (0.84   1.0   0.02   9.20) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  17.75 +/- 2.78   0.005% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 105.4:
      O   HB3   ASN   28 - HD22  ASN   28   4.00 +/- 0.12  99.123% * 99.7665% (0.90  10.0   4.18 105.38) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   9.01 +/- 0.66   0.865% *  0.1110% (1.00   1.0   0.02   9.20) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  20.35 +/- 2.28   0.007% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  21.39 +/- 2.41   0.005% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.52, residual support = 13.6:
          QG2   VAL   24 - HD22  ASN   28   2.15 +/- 0.51  99.998% * 97.7531% (0.97   1.52  13.57) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  16.54 +/- 1.03   0.002% *  0.4987% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  20.08 +/- 1.21   0.001% *  1.1526% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  26.77 +/- 1.79   0.000% *  0.5957% (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 = 5.8, residual support = 92.2:
      O   HA    GLU-  29 - HN    GLU-  29   2.74 +/- 0.03  99.723% * 99.3483% (0.84  10.0   5.80  92.22) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.44 +/- 0.49   0.064% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.82 +/- 0.29   0.191% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  15.43 +/- 3.74   0.007% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.47 +/- 0.55   0.005% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  13.93 +/- 1.06   0.007% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.34 +/- 0.67   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.27 +/- 1.17   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  27.77 +/- 1.15   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  21.98 +/- 2.20   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 = 5.69, residual support = 34.3:
          HB2   ASN   28 - HN    GLU-  29   2.36 +/- 0.09  99.863% * 98.6342% (0.97   5.69  34.33) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   7.81 +/- 1.34   0.120% *  0.3222% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.59 +/- 0.94   0.015% *  0.2179% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  16.84 +/- 2.56   0.001% *  0.3316% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  21.84 +/- 1.66   0.000% *  0.3592% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  19.20 +/- 1.61   0.000% *  0.1348% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.662, support = 5.68, residual support = 33.3:
          HB3   ASN   28 - HN    GLU-  29   3.39 +/- 0.25  93.569% * 48.2541% (0.65   5.76  34.33) =  93.190%  kept
          HG2   GLN   30 - HN    GLU-  29   5.64 +/- 0.50   6.428% * 51.3331% (0.87   4.57  19.43) =   6.810%  kept
          QE    LYS+ 121 - HN    GLU-  29  22.21 +/- 2.59   0.002% *  0.2452% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  22.49 +/- 2.38   0.001% *  0.1677% (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 = 5.39, residual support = 92.2:
          HG2   GLU-  29 - HN    GLU-  29   3.08 +/- 0.64  96.464% * 97.7518% (0.57   5.39  92.22) =  99.993%  kept
          QG    GLN   32 - HN    GLU-  29   6.79 +/- 1.15   3.518% *  0.1783% (0.28   0.02   0.02) =   0.007%
          HB3   PHE   45 - HN    GLU-  29  16.71 +/- 0.78   0.006% *  0.6354% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    GLU-  29  16.96 +/- 2.65   0.010% *  0.2636% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.44 +/- 0.73   0.001% *  0.5355% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  27.70 +/- 1.90   0.000% *  0.6354% (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 = 0.556, support = 4.0, residual support = 8.22:
          HA    ASN   28 - HN    GLN   30   3.83 +/- 0.15  58.850% * 57.9502% (0.45   4.67   9.20) =  79.120%  kept
          HA    THR   26 - HN    GLN   30   4.59 +/- 0.36  22.490% * 39.9846% (0.97   1.50   4.54) =  20.862%  kept
          HA1   GLY  101 - HN    LYS+  99   4.87 +/- 0.65  17.526% *  0.0304% (0.05   0.02   1.41) =   0.012%
          HA    ALA   34 - HN    GLN   30   8.55 +/- 0.70   0.540% *  0.3584% (0.65   0.02   1.23) =   0.004%
          HA1   GLY  101 - HN    GLN   30  12.52 +/- 2.32   0.091% *  0.4628% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  10.41 +/- 0.59   0.151% *  0.0855% (0.15   0.02  14.90) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.70 +/- 1.05   0.268% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  12.93 +/- 1.41   0.051% *  0.0163% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.28 +/- 0.99   0.001% *  0.2697% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.81 +/- 1.52   0.001% *  0.5241% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.99 +/- 1.03   0.001% *  0.1890% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.01 +/- 1.76   0.007% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.17 +/- 0.73   0.011% *  0.0177% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.35 +/- 1.28   0.005% *  0.0351% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.78 +/- 0.93   0.006% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.11 +/- 0.98   0.002% *  0.0124% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.42, residual support = 19.4:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.02  96.831% * 99.3278% (1.00  10.0   5.42  19.43) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.69 +/- 0.35   0.888% *  0.0976% (0.98   1.0   0.02   0.28) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.85 +/- 0.17   1.726% *  0.0374% (0.38   1.0   0.02   1.48) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.34 +/- 0.67   0.053% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.71 +/- 0.75   0.028% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.56 +/- 0.99   0.091% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  17.03 +/- 3.59   0.013% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.50 +/- 0.67   0.140% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.06 +/- 1.57   0.092% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.48 +/- 0.91   0.032% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  22.12 +/- 1.21   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.53 +/- 1.47   0.015% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  15.87 +/- 0.78   0.012% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.07 +/- 1.24   0.066% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  22.82 +/- 1.99   0.001% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  25.91 +/- 1.24   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.28 +/- 1.12   0.005% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.46 +/- 1.37   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  25.15 +/- 3.71   0.001% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.62 +/- 1.10   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  26.27 +/- 1.97   0.001% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.85 +/- 0.96   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 = 6.33, residual support = 155.0:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.02  99.812% * 99.5516% (0.92  10.0   6.33 155.00) = 100.000%  kept
          HB3   SER   37 - HN    GLN   30  10.30 +/- 0.83   0.052% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   30  11.59 +/- 1.04   0.026% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  16.41 +/- 3.34   0.005% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.84 +/- 0.90   0.067% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  17.35 +/- 2.14   0.003% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  13.90 +/- 1.29   0.009% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  11.69 +/- 1.07   0.024% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  20.84 +/- 1.68   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.63 +/- 0.96   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.08 +/- 1.47   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.73 +/- 2.06   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  24.20 +/- 3.64   0.000% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.40 +/- 1.02   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.21 +/- 1.05   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  22.93 +/- 1.51   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 = 0.993, support = 6.92, residual support = 147.4:
          HG2   GLN   30 - HN    GLN   30   3.52 +/- 0.40  87.064% * 70.9525% (1.00   7.12 155.00) =  94.825%  kept
          HB3   ASN   28 - HN    GLN   30   5.01 +/- 0.09  11.711% * 28.7883% (0.90   3.22   9.20) =   5.175%  kept
          QE    LYS+ 121 - HN    LYS+  99  10.43 +/- 3.13   1.010% *  0.0095% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  11.50 +/- 3.37   0.166% *  0.0049% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  20.45 +/- 2.74   0.004% *  0.1450% (0.73   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  14.83 +/- 1.49   0.023% *  0.0118% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  14.85 +/- 1.28   0.020% *  0.0131% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  20.21 +/- 2.44   0.003% *  0.0749% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.67, residual support = 155.0:
      O   HB3   GLN   30 - HN    GLN   30   2.76 +/- 0.51  94.660% * 98.7410% (0.69  10.0   6.67 155.00) =  99.996%  kept
          QB    LYS+  33 - HN    GLN   30   5.50 +/- 0.66   3.793% *  0.1044% (0.73   1.0   0.02   0.28) =   0.004%
          HB    ILE  103 - HN    LYS+  99   6.16 +/- 0.24   1.112% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  14.66 +/- 1.67   0.017% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.22 +/- 1.44   0.131% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.96 +/- 0.93   0.137% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.38 +/- 0.52   0.087% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.20 +/- 1.03   0.004% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  18.29 +/- 3.04   0.003% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  16.77 +/- 1.32   0.003% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  12.64 +/- 1.37   0.022% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.18 +/- 0.63   0.019% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.91 +/- 1.07   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.51 +/- 0.96   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  21.90 +/- 1.37   0.001% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.75 +/- 1.15   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  24.20 +/- 1.46   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.86 +/- 2.65   0.007% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.42 +/- 1.34   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  26.05 +/- 0.85   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.39 +/- 1.22   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.07 +/- 0.68   0.001% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  25.27 +/- 2.55   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  26.63 +/- 1.10   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.54 +/- 1.30   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.97 +/- 1.22   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 5.66, residual support = 48.0:
          HG    LEU   31 - HN    GLN   30   4.84 +/- 0.63  39.744% * 86.6396% (0.80   5.90  50.05) =  95.417%  kept
          QD2   LEU   73 - HN    GLN   30   6.07 +/- 0.65  13.019% * 12.6095% (0.92   0.74   5.13) =   4.549%  kept
          QG1   VAL   41 - HN    GLN   30   6.87 +/- 1.14  10.512% *  0.0915% (0.25   0.02   0.02) =   0.027%
          QG1   VAL   41 - HN    LYS+  99   5.34 +/- 1.29  34.116% *  0.0060% (0.02   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LYS+  99   9.88 +/- 1.80   1.446% *  0.0193% (0.05   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    LYS+  99   9.70 +/- 0.82   0.637% *  0.0223% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.00 +/- 2.47   0.484% *  0.0137% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.13 +/- 1.28   0.010% *  0.3662% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  22.48 +/- 1.93   0.004% *  0.2078% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.42 +/- 1.26   0.028% *  0.0241% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.54:
          QG2   THR   26 - HN    GLN   30   4.43 +/- 0.29  88.427% * 94.2903% (0.73   2.00   4.54) =  99.987%  kept
          HB3   LEU   40 - HN    LYS+  99   6.94 +/- 1.10  10.450% *  0.0619% (0.05   0.02  11.53) =   0.008%
          HB2   LYS+  74 - HN    GLN   30  12.18 +/- 0.56   0.212% *  1.2283% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    GLN   30  13.93 +/- 0.73   0.108% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  12.05 +/- 2.49   0.493% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  20.73 +/- 1.52   0.010% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  22.64 +/- 2.08   0.006% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.20 +/- 1.56   0.102% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.28 +/- 1.01   0.060% *  0.0619% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  22.60 +/- 1.21   0.006% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  20.62 +/- 1.21   0.010% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  25.14 +/- 1.55   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.84 +/- 0.79   0.022% *  0.0807% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  16.21 +/- 2.55   0.065% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.01 +/- 0.77   0.015% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.27 +/- 1.21   0.011% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.391, support = 6.39, residual support = 155.0:
      O   HB2   GLN   30 - HN    GLN   30   2.85 +/- 0.71  58.641% * 87.1929% (0.41  10.0   6.40 155.00) =  91.461%  kept
          HG3   GLN   30 - HN    GLN   30   3.25 +/- 0.65  40.972% * 11.6509% (0.18   1.0   6.27 155.00) =   8.539%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.39 +/- 0.32   0.361% *  0.0048% (0.02   1.0   0.02  39.58) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  14.49 +/- 1.65   0.005% *  0.0723% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.80 +/- 1.35   0.002% *  0.1116% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.66 +/- 1.40   0.000% *  0.2047% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.03 +/- 1.36   0.010% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.10 +/- 1.60   0.000% *  0.1372% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  23.86 +/- 2.68   0.000% *  0.1201% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.50 +/- 0.65   0.002% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.62 +/- 1.44   0.000% *  0.0872% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.67 +/- 0.87   0.000% *  0.1540% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.67 +/- 1.52   0.004% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  26.10 +/- 0.89   0.000% *  0.0951% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.00 +/- 2.21   0.000% *  0.0951% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  16.76 +/- 1.55   0.001% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.67 +/- 0.96   0.001% *  0.0134% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.62 +/- 1.31   0.000% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.78 +/- 1.36   0.000% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.43 +/- 1.06   0.000% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.38 +/- 1.40   0.000% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.78 +/- 2.62   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 = 0.922, support = 4.82, residual support = 19.4:
          HB3   GLU-  29 - HN    GLN   30   3.95 +/- 0.25  73.853% * 43.3394% (0.90   4.56  19.43) =  69.392%  kept
          HG3   GLU-  29 - HN    GLN   30   4.87 +/- 0.64  25.202% * 56.0179% (0.98   5.39  19.43) =  30.607%  kept
          QB    GLU-  36 - HN    GLN   30   9.43 +/- 0.37   0.388% *  0.1285% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLN   30  14.10 +/- 1.94   0.111% *  0.1285% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   30  15.11 +/- 2.05   0.032% *  0.1115% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.36 +/- 1.10   0.315% *  0.0084% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  12.63 +/- 0.96   0.076% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  24.04 +/- 1.47   0.001% *  0.2100% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.26 +/- 1.37   0.012% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.34 +/- 1.69   0.008% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  23.68 +/- 1.94   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  26.86 +/- 0.93   0.001% *  0.0138% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.29, residual support = 92.2:
      O   HB2   GLU-  29 - HN    GLU-  29   2.41 +/- 0.34  99.991% * 99.4303% (0.76  10.0   5.29  92.22) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.17 +/- 0.70   0.002% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  13.77 +/- 0.78   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  16.81 +/- 1.37   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  21.84 +/- 1.06   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  23.48 +/- 1.98   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  20.75 +/- 1.80   0.000% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.55 +/- 1.35   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.795, support = 5.46, residual support = 92.2:
      O   HB3   GLU-  29 - HN    GLU-  29   3.36 +/- 0.43  34.473% * 67.9408% (0.65  10.0   4.75  92.22) =  53.332%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.07 +/- 0.37  64.445% * 31.8012% (0.97   1.0   6.28  92.22) =  46.667%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.99 +/- 0.45   1.042% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  10.84 +/- 0.42   0.029% *  0.0358% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.28 +/- 1.77   0.005% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  14.59 +/- 1.98   0.006% *  0.0292% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  23.75 +/- 1.67   0.000% *  0.0877% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.956, support = 3.07, residual support = 155.0:
      O   HG3   GLN   30 - HE21  GLN   30   4.02 +/- 0.24  40.645% * 85.8866% (0.99  10.0   2.88 155.00) =  81.374%  kept
          HB2   GLN   30 - HE21  GLN   30   3.77 +/- 0.51  58.652% * 13.6230% (0.80   1.0   3.93 155.00) =  18.626%  kept
          QB    GLU-  15 - HE21  GLN   30  10.06 +/- 1.64   0.384% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.55 +/- 1.08   0.165% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  14.32 +/- 2.06   0.064% *  0.0752% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.16 +/- 1.22   0.059% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  15.32 +/- 1.54   0.015% *  0.0752% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  19.41 +/- 2.21   0.005% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.39 +/- 1.55   0.003% *  0.0694% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.78 +/- 1.80   0.007% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.07 +/- 1.86   0.001% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.99 +/- 1.42   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 = 0.273, support = 2.06, residual support = 14.9:
          QG2   ILE   19 - HE21  GLN   30   2.70 +/- 0.80  77.535% * 27.8160% (0.18   2.00  14.90) =  58.316%  kept
          QD1   ILE   19 - HE21  GLN   30   3.80 +/- 1.23  22.137% * 69.6181% (0.41   2.13  14.90) =  41.672%  kept
          QD1   LEU   98 - HE21  GLN   30  10.29 +/- 1.35   0.274% *  1.4228% (0.90   0.02   0.02) =   0.011%
          QD2   LEU  104 - HE21  GLN   30  13.37 +/- 1.42   0.032% *  0.8982% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE21  GLN   30  12.00 +/- 1.21   0.023% *  0.2448% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 2.18, residual support = 14.9:
          QG2   ILE   19 - HE22  GLN   30   3.25 +/- 0.80  81.861% * 28.0142% (0.18   2.13  14.90) =  65.905%  kept
          QD1   ILE   19 - HE22  GLN   30   4.44 +/- 1.16  17.035% * 69.5621% (0.41   2.26  14.90) =  34.054%  kept
          QD1   LEU   98 - HE22  GLN   30   9.67 +/- 1.20   0.989% *  1.3440% (0.90   0.02   0.02) =   0.038%
          QD2   LEU  104 - HE22  GLN   30  13.12 +/- 1.29   0.069% *  0.8484% (0.57   0.02   0.02) =   0.002%
          QG2   THR   46 - HE22  GLN   30  12.24 +/- 1.04   0.047% *  0.2312% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 45.9:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.04  99.996% * 99.9819% (0.97  10.0   5.92  45.94) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  19.32 +/- 1.12   0.004% *  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 = 4.22, residual support = 44.6:
          QG    GLN   32 - HN    GLN   32   3.31 +/- 0.68  99.895% * 98.8556% (0.99   4.22  44.60) = 100.000%  kept
          HB2   GLU- 100 - HN    GLN   32  12.25 +/- 1.70   0.088% *  0.1052% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN   32  16.72 +/- 1.92   0.010% *  0.3785% (0.80   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.16 +/- 0.80   0.002% *  0.3247% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  19.07 +/- 0.81   0.004% *  0.1314% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  28.07 +/- 1.97   0.000% *  0.1314% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.09 +/- 1.14   0.000% *  0.0729% (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 = 4.22, residual support = 44.6:
      O   QB    GLN   32 - HN    GLN   32   2.18 +/- 0.12  99.989% * 99.6924% (0.90  10.0   4.22  44.60) = 100.000%  kept
          HG3   GLU- 100 - HN    GLN   32  12.02 +/- 1.59   0.005% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLN   32  11.88 +/- 0.53   0.005% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  20.01 +/- 1.05   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  18.97 +/- 2.17   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 = 0.679, support = 3.06, residual support = 5.5:
          HB3   GLN   30 - HN    GLN   32   5.31 +/- 0.26  32.879% * 73.6969% (0.99   2.48   1.48) =  60.666%  kept
          QB    LYS+  33 - HN    GLN   32   4.68 +/- 0.35  66.836% * 23.5038% (0.20   3.96  11.70) =  39.330%  kept
          HB3   LYS+  38 - HN    GLN   32  12.34 +/- 0.90   0.223% *  0.5375% (0.90   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    GLN   32  16.58 +/- 1.06   0.036% *  0.2044% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  24.24 +/- 1.40   0.004% *  0.5940% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  21.25 +/- 3.29   0.011% *  0.1850% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  25.90 +/- 1.24   0.002% *  0.4580% (0.76   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  23.84 +/- 2.96   0.006% *  0.1334% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  28.35 +/- 0.94   0.001% *  0.5375% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  27.12 +/- 1.52   0.002% *  0.1494% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 45.9:
          HB2   LEU   31 - HN    GLN   32   2.80 +/- 0.19  99.928% * 97.3704% (0.98   5.92  45.94) = 100.000%  kept
          HG    LEU   98 - HN    GLN   32  11.14 +/- 1.31   0.030% *  0.2170% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLN   32  11.55 +/- 0.84   0.024% *  0.2034% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.42 +/- 1.32   0.010% *  0.2435% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.19 +/- 1.21   0.002% *  0.3008% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  18.73 +/- 4.07   0.002% *  0.3347% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.98 +/- 1.09   0.001% *  0.3237% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  19.10 +/- 2.20   0.001% *  0.1765% (0.53   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.41 +/- 2.12   0.000% *  0.2563% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.22 +/- 1.30   0.000% *  0.1633% (0.49   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  22.32 +/- 1.97   0.000% *  0.0933% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  28.58 +/- 1.72   0.000% *  0.3173% (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 = 5.92, residual support = 45.9:
          HB3   LEU   31 - HN    GLN   32   3.71 +/- 0.22  99.382% * 98.9126% (0.98   5.92  45.94) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.18 +/- 0.70   0.543% *  0.1929% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.85 +/- 0.41   0.065% *  0.1793% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.80 +/- 0.90   0.007% *  0.0850% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.09 +/- 1.72   0.002% *  0.3288% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  22.84 +/- 2.33   0.002% *  0.0674% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  31.59 +/- 1.65   0.000% *  0.2340% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 4.33, residual support = 11.7:
          QG    GLN   32 - HN    LYS+  33   4.18 +/- 0.54  99.956% * 98.6345% (0.84   4.33  11.70) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  17.48 +/- 1.78   0.027% *  0.2872% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.52 +/- 0.67   0.006% *  0.5039% (0.92   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  20.06 +/- 0.69   0.010% *  0.2872% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  28.19 +/- 2.01   0.001% *  0.2872% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 11.7:
          QB    GLN   32 - HN    LYS+  33   2.90 +/- 0.13  99.941% * 98.5135% (1.00   4.33  11.70) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.35 +/- 1.43   0.039% *  0.3645% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.62 +/- 0.65   0.012% *  0.4512% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  18.16 +/- 1.39   0.002% *  0.4203% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  15.24 +/- 1.56   0.006% *  0.0702% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  27.98 +/- 0.89   0.000% *  0.0901% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.44 +/- 2.10   0.000% *  0.0901% (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 = 5.77, residual support = 149.9:
      O   QB    LYS+  33 - HN    LYS+  33   2.33 +/- 0.30  98.936% * 99.1015% (0.97  10.0   5.77 149.94) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.27 +/- 0.31   1.048% *  0.0385% (0.38   1.0   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.86 +/- 0.76   0.013% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  16.59 +/- 1.06   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.31 +/- 1.09   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.14 +/- 1.00   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.91 +/- 1.05   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.62 +/- 3.03   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  26.07 +/- 1.18   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  28.39 +/- 1.26   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.61 +/- 1.45   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  25.29 +/- 1.25   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  24.55 +/- 3.08   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.08 +/- 1.48   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  27.84 +/- 0.88   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 = 4.32, residual support = 149.9:
          HG2   LYS+  33 - HN    LYS+  33   3.45 +/- 0.47  99.995% * 98.5806% (0.61   4.32 149.94) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  20.09 +/- 1.34   0.003% *  0.7255% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  22.81 +/- 2.74   0.002% *  0.6939% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.37, support = 5.32, residual support = 144.2:
          HG3   LYS+  33 - HN    LYS+  33   3.10 +/- 1.15  85.437% * 75.5655% (0.38   5.45 149.94) =  96.173%  kept
          HB2   LEU   31 - HN    LYS+  33   4.99 +/- 0.13  14.204% * 18.0740% (0.25   1.96   0.56) =   3.824%  kept
          HG    LEU   98 - HN    LYS+  33  11.82 +/- 1.28   0.111% *  0.6409% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+  33  10.84 +/- 0.93   0.154% *  0.3887% (0.53   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  13.18 +/- 0.66   0.044% *  0.3312% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  15.64 +/- 1.34   0.017% *  0.4183% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.40 +/- 1.22   0.010% *  0.4481% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.29 +/- 1.24   0.005% *  0.5646% (0.76   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  20.35 +/- 1.94   0.003% *  0.6989% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.40 +/- 1.03   0.004% *  0.3596% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  20.24 +/- 3.79   0.004% *  0.2773% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.70 +/- 1.40   0.002% *  0.7130% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  22.71 +/- 1.87   0.002% *  0.5646% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  22.16 +/- 1.68   0.003% *  0.3312% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  31.42 +/- 1.04   0.000% *  0.4779% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.27 +/- 1.81   0.000% *  0.1462% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.561, residual support = 0.561:
          QD2   LEU   31 - HN    LYS+  33   5.04 +/- 0.18  99.831% * 90.3580% (0.65   0.56   0.56) =  99.991%  kept
          QG2   VAL   83 - HN    LYS+  33  15.92 +/- 2.04   0.126% *  4.9335% (0.99   0.02   0.02) =   0.007%
          QD1   ILE   89 - HN    LYS+  33  18.62 +/- 1.32   0.043% *  4.7085% (0.95   0.02   0.02) =   0.002%
    Distance limit 4.62 A violated in 1 structures by 0.42 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 = 0.744, support = 1.99, residual support = 3.28:
          HA    LYS+  33 - HN    ASN   35   3.78 +/- 0.12  41.136% * 65.2751% (0.98   1.84   1.35) =  61.009%  kept
          HA    GLN   32 - HN    ASN   35   3.59 +/- 0.10  56.377% * 30.4300% (0.38   2.23   6.31) =  38.978%  kept
          HA    GLU-  29 - HN    ASN   35   8.14 +/- 0.34   0.428% *  0.7242% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.41 +/- 0.48   1.979% *  0.1120% (0.15   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    ASN   35  11.18 +/- 0.88   0.067% *  0.5547% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.10 +/- 1.15   0.011% *  0.7194% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  23.97 +/- 3.78   0.001% *  0.7005% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.79 +/- 1.49   0.000% *  0.5547% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  28.14 +/- 0.98   0.000% *  0.4695% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  28.49 +/- 1.87   0.000% *  0.2984% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.97 +/- 1.18   0.000% *  0.1616% (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 = 52.0:
          HA    GLU-  36 - HN    ASN   35   4.96 +/- 0.06  97.052% * 98.5307% (0.97   3.97  52.00) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.95 +/- 0.32   2.923% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ASN   35  24.26 +/- 3.11   0.009% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASN   35  26.45 +/- 2.64   0.005% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  29.08 +/- 1.22   0.002% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  23.79 +/- 1.14   0.008% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 3 structures by 0.87 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.88, residual support = 55.5:
      O   HB2   ASN   35 - HN    ASN   35   2.47 +/- 0.54  98.859% * 98.5351% (0.31  10.0   5.88  55.51) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   35   6.53 +/- 0.71   1.103% *  0.3185% (1.00   1.0   0.02   1.35) =   0.004%
          HB2   ASN   28 - HN    ASN   35  10.84 +/- 0.39   0.027% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  13.59 +/- 1.14   0.009% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.59 +/- 1.31   0.001% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  23.54 +/- 2.67   0.000% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  22.00 +/- 1.39   0.000% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  26.43 +/- 1.54   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.32, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.95 +/- 0.06  97.933% * 98.0029% (0.92   3.32  18.77) =  99.995%  kept
          QG2   THR   39 - HN    ASN   35   6.75 +/- 1.27   1.560% *  0.1972% (0.31   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    ASN   35   7.52 +/- 0.72   0.497% *  0.3617% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  14.78 +/- 1.03   0.007% *  0.6263% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.22 +/- 1.40   0.001% *  0.4883% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.86 +/- 0.80   0.002% *  0.1264% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.80 +/- 1.19   0.000% *  0.1972% (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 = 3.74, residual support = 105.4:
      O   HB2   ASN   28 - HD21  ASN   28   3.18 +/- 0.27  99.806% * 99.6076% (0.97  10.0   3.74 105.38) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   28  10.58 +/- 0.96   0.094% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  11.41 +/- 1.07   0.062% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   28  13.50 +/- 2.86   0.032% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  17.26 +/- 1.92   0.004% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.21 +/- 1.38   0.001% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 105.4:
      O   HB3   ASN   28 - HD21  ASN   28   3.28 +/- 0.23  99.127% * 99.7665% (0.90  10.0   3.60 105.38) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   7.53 +/- 0.59   0.868% *  0.1110% (1.00   1.0   0.02   9.20) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  19.94 +/- 2.42   0.003% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  20.66 +/- 2.38   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 1.76, residual support = 13.6:
          QG2   VAL   24 - HD21  ASN   28   3.08 +/- 0.46  99.980% * 96.7325% (0.76   1.76  13.57) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  14.62 +/- 1.29   0.013% *  0.3596% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  19.53 +/- 1.23   0.002% *  1.2935% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  17.08 +/- 1.20   0.005% *  0.2225% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  26.95 +/- 1.74   0.000% *  1.3919% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 52.9:
      O   HA    TRP   27 - HN    ASN   28   3.63 +/- 0.01  99.991% * 99.7755% (1.00  10.0   5.69  52.86) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.14 +/- 1.67   0.005% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  20.47 +/- 1.10   0.003% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.58 +/- 1.20   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 13.6:
          HA    VAL   24 - HN    ASN   28   3.39 +/- 0.27  99.982% * 99.4847% (0.92   5.98  13.57) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.40 +/- 0.52   0.013% *  0.1483% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.47 +/- 0.97   0.003% *  0.1483% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.15 +/- 1.35   0.002% *  0.2187% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 52.9:
          HB2   TRP   27 - HN    ASN   28   2.86 +/- 0.10  99.987% * 99.2749% (0.80   5.59  52.86) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.05 +/- 1.01   0.013% *  0.3702% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  20.59 +/- 0.89   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 = 6.84, residual support = 105.4:
      O   HB2   ASN   28 - HN    ASN   28   2.53 +/- 0.21  99.938% * 99.6076% (0.97  10.0   6.84 105.38) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.64 +/- 1.07   0.043% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.74 +/- 1.07   0.013% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  14.34 +/- 2.53   0.006% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.95 +/- 1.68   0.001% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.83 +/- 1.49   0.000% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.61, residual support = 105.4:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  95.762% * 99.7665% (0.90  10.0   6.61 105.38) =  99.995%  kept
          HG2   GLN   30 - HN    ASN   28   6.20 +/- 0.56   4.233% *  0.1110% (1.00   1.0   0.02   9.20) =   0.005%
          QE    LYS+ 121 - HN    ASN   28  20.88 +/- 2.40   0.003% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  21.27 +/- 2.27   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 = 0.468, support = 2.59, residual support = 22.1:
          HG3   GLU-  29 - HN    ASN   28   5.54 +/- 0.43  52.089% * 56.7688% (0.20   3.85  34.33) =  61.380%  kept
          HB2   GLU-  25 - HN    ASN   28   5.61 +/- 0.12  46.976% * 39.5933% (0.90   0.59   2.68) =  38.607%  kept
          HB2   MET   96 - HN    ASN   28  11.61 +/- 0.76   0.666% *  0.4598% (0.31   0.02   0.02) =   0.006%
          QG    GLN   17 - HN    ASN   28  16.12 +/- 1.47   0.103% *  1.1929% (0.80   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    ASN   28  17.12 +/- 1.82   0.102% *  0.9035% (0.61   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  16.98 +/- 0.53   0.062% *  1.0817% (0.73   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.513, support = 3.16, residual support = 13.6:
          QG2   VAL   24 - HN    ASN   28   3.62 +/- 0.34  60.621% * 48.0589% (0.45   3.47  13.57) =  59.257%  kept
          QG1   VAL   24 - HN    ASN   28   3.98 +/- 0.45  39.371% * 50.8781% (0.61   2.71  13.57) =  40.743%  kept
          QG1   VAL  107 - HN    ASN   28  17.42 +/- 0.89   0.005% *  0.5710% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  19.94 +/- 1.24   0.002% *  0.1909% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.89 +/- 1.46   0.000% *  0.3011% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.203, support = 3.37, residual support = 2.65:
          QD1   LEU   73 - HN    ASN   28   4.87 +/- 0.32  78.652% * 47.8866% (0.15   3.79   3.14) =  83.274%  kept
          QD2   LEU   80 - HN    ASN   28   9.29 +/- 4.66  15.742% * 47.4975% (0.45   1.29   0.25) =  16.531%  kept
          QG1   VAL   83 - HN    ASN   28   8.75 +/- 2.33   5.160% *  1.6354% (1.00   0.02   0.02) =   0.187%
          QG2   ILE   89 - HN    ASN   28  12.86 +/- 1.34   0.257% *  0.9279% (0.57   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    ASN   28  15.68 +/- 1.00   0.079% *  1.1258% (0.69   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ASN   28  15.39 +/- 1.37   0.092% *  0.2529% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    ASN   28  20.02 +/- 1.26   0.019% *  0.6738% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.48, residual support = 28.4:
          HA    VAL   24 - HN    TRP   27   3.05 +/- 0.10  99.984% * 99.1476% (0.99   3.48  28.38) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.56 +/- 0.76   0.004% *  0.4177% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.18 +/- 1.68   0.005% *  0.0704% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.04 +/- 1.02   0.003% *  0.1007% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.71 +/- 1.23   0.001% *  0.1775% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.42 +/- 1.66   0.003% *  0.0124% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  29.10 +/- 1.29   0.000% *  0.0516% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.70 +/- 1.73   0.000% *  0.0219% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.46, residual support = 108.5:
      O   HB2   TRP   27 - HN    TRP   27   2.09 +/- 0.05  99.877% * 99.8160% (0.99  10.0   5.46 108.46) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.18 +/- 0.41   0.066% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.98 +/- 1.81   0.054% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.91 +/- 0.79   0.003% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  19.93 +/- 1.07   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  17.13 +/- 1.59   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 108.5:
      O   HB3   TRP   27 - HN    TRP   27   2.96 +/- 0.10  99.959% * 99.6559% (0.99  10.0   5.64 108.46) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  17.25 +/- 0.90   0.003% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  17.61 +/- 1.88   0.003% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  16.95 +/- 0.84   0.003% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.66 +/- 0.84   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.22 +/- 2.26   0.005% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.22 +/- 1.46   0.011% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  15.84 +/- 1.68   0.006% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  17.22 +/- 1.46   0.003% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.65 +/- 1.68   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.63 +/- 1.07   0.001% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  23.93 +/- 1.06   0.000% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  23.70 +/- 1.38   0.000% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  28.94 +/- 2.22   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 = 0.75, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   2.46 +/- 0.27  99.992% * 96.3535% (0.53   0.75   1.50) = 100.000%  kept
          HG2   MET   96 - HN    TRP   27  13.79 +/- 1.16   0.005% *  2.9628% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ALA   91  16.07 +/- 1.75   0.002% *  0.3661% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  18.58 +/- 1.45   0.001% *  0.3176% (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 = 4.48, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.31 +/- 0.29  99.698% * 97.6065% (0.98   4.48  22.62) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27   9.89 +/- 0.46   0.157% *  0.3557% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.52 +/- 0.69   0.040% *  0.0778% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.37 +/- 1.49   0.002% *  0.4433% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.21 +/- 0.92   0.008% *  0.0879% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  21.24 +/- 0.99   0.002% *  0.3395% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.56 +/- 1.17   0.011% *  0.0440% (0.10   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  18.50 +/- 1.31   0.004% *  0.1235% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  23.42 +/- 1.73   0.001% *  0.4433% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  14.79 +/- 1.90   0.034% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.72 +/- 1.60   0.031% *  0.0096% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  17.70 +/- 1.26   0.005% *  0.0538% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  23.46 +/- 1.88   0.001% *  0.1235% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  22.48 +/- 1.84   0.001% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  24.67 +/- 1.90   0.001% *  0.0879% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.01 +/- 1.18   0.001% *  0.0548% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.18 +/- 1.87   0.001% *  0.0419% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.40 +/- 1.26   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.63 +/- 1.12   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  24.20 +/- 1.15   0.001% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.97, support = 3.36, residual support = 21.6:
          QD1   LEU   73 - HN    TRP   27   4.63 +/- 0.41  68.410% * 71.1767% (1.00   3.57  23.92) =  88.337%  kept
          QD2   LEU   80 - HN    TRP   27   8.18 +/- 4.20  23.541% * 27.2889% (0.76   1.79   3.60) =  11.655%  kept
          QG1   VAL   83 - HN    TRP   27   8.46 +/- 1.83   3.094% *  0.0617% (0.15   0.02   0.66) =   0.003%
          QG2   VAL   41 - HN    TRP   27   7.81 +/- 0.63   3.129% *  0.0541% (0.14   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    TRP   27  14.95 +/- 1.34   0.067% *  0.3991% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  15.58 +/- 1.06   0.051% *  0.2426% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.70 +/- 1.24   0.302% *  0.0378% (0.09   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  10.03 +/- 1.10   1.053% *  0.0076% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.49 +/- 0.95   0.034% *  0.2104% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  14.67 +/- 1.76   0.101% *  0.0396% (0.10   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  19.64 +/- 1.30   0.012% *  0.3203% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  14.51 +/- 1.14   0.076% *  0.0493% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.15 +/- 1.38   0.060% *  0.0493% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  16.68 +/- 1.09   0.032% *  0.0300% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  20.80 +/- 0.90   0.008% *  0.0260% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.90 +/- 1.24   0.029% *  0.0067% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.954, residual support = 4.42:
          QG2   VAL   75 - HN    TRP   27   5.52 +/- 1.07  93.006% * 97.3304% (0.95   0.95   4.42) =  99.942%  kept
          QG2   VAL   42 - HN    TRP   27  11.63 +/- 0.79   1.812% *  2.1517% (1.00   0.02   0.02) =   0.043%
          QG2   VAL   75 - HN    ALA   91  10.60 +/- 1.44   4.923% *  0.2521% (0.12   0.02   0.02) =   0.014%
          QG2   VAL   42 - HN    ALA   91  15.86 +/- 0.77   0.259% *  0.2659% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 12 structures by 1.15 A, kept.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.7, residual support = 108.5:
          HA    TRP   27 - HE1   TRP   27   5.47 +/- 0.10  99.722% * 98.3451% (1.00   2.70 108.46) =  99.998%  kept
          HA    VAL  107 - HE1   TRP   27  16.10 +/- 1.08   0.174% *  0.6095% (0.84   0.02   0.02) =   0.001%
          HA    ALA   91 - HE1   TRP   27  18.20 +/- 1.77   0.087% *  0.6902% (0.95   0.02   0.02) =   0.001%
          HA    PRO   52 - HE1   TRP   27  23.50 +/- 1.27   0.017% *  0.3552% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.63 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.19, residual support = 23.9:
          QD1   LEU   73 - HE1   TRP   27   3.19 +/- 0.37  99.082% * 95.5696% (0.87   2.19  23.92) =  99.993%  kept
          QD2   LEU   80 - HE1   TRP   27  11.38 +/- 5.15   0.425% *  0.9951% (0.99   0.02   3.60) =   0.004%
          QG1   VAL   83 - HE1   TRP   27  10.00 +/- 3.04   0.325% *  0.4127% (0.41   0.02   0.66) =   0.001%
          QD1   LEU  104 - HE1   TRP   27  11.31 +/- 1.03   0.077% *  0.8709% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  12.08 +/- 1.61   0.046% *  0.8709% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  12.34 +/- 1.10   0.038% *  0.2791% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE1   TRP   27  16.64 +/- 1.35   0.007% *  1.0017% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.32, support = 1.8, residual support = 12.2:
          QD2   LEU   31 - HE1   TRP   27   1.96 +/- 0.18  99.038% * 36.4410% (0.31   1.81  12.25) =  98.334%  kept
          QG2   VAL   43 - HE1   TRP   27   4.75 +/- 0.84   0.962% * 63.5590% (0.99   0.98   9.60) =   1.666%  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 = 5.65, residual support = 29.3:
          HB2   GLU-  25 - HN    THR   26   2.59 +/- 0.08  98.795% * 98.9691% (0.90   5.65  29.28) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.63 +/- 0.64   1.197% *  0.0773% (0.20   0.02   1.23) =   0.001%
          QG    GLN   17 - HN    THR   26  15.79 +/- 1.26   0.002% *  0.3127% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  14.51 +/- 0.81   0.003% *  0.1205% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.09 +/- 2.20   0.001% *  0.2368% (0.61   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  18.92 +/- 0.61   0.001% *  0.2836% (0.73   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 = 29.3:
          HB3   GLU-  25 - HN    THR   26   3.31 +/- 0.15  97.633% * 95.5081% (0.57   5.27  29.28) =  99.989%  kept
          HG3   GLN   30 - HN    THR   26   7.38 +/- 1.00   1.228% *  0.5348% (0.84   0.02   4.54) =   0.007%
          HB2   GLN   30 - HN    THR   26   7.64 +/- 1.16   1.020% *  0.3369% (0.53   0.02   4.54) =   0.004%
          HB    ILE   19 - HN    THR   26  10.72 +/- 0.66   0.101% *  0.1267% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.55 +/- 0.34   0.006% *  0.4893% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  17.32 +/- 0.82   0.005% *  0.4893% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  20.24 +/- 1.59   0.002% *  0.3884% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  23.99 +/- 1.52   0.001% *  0.6389% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  21.62 +/- 1.97   0.002% *  0.1976% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  27.58 +/- 1.83   0.000% *  0.5348% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  26.73 +/- 1.24   0.000% *  0.3369% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.09 +/- 1.75   0.001% *  0.1597% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.06 +/- 1.01   0.001% *  0.0988% (0.15   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  26.03 +/- 1.01   0.000% *  0.1597% (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 = 35.8:
          QG2   THR   26 - HN    THR   26   3.58 +/- 0.07  99.874% * 98.0839% (0.95   4.46  35.81) =  99.999%  kept
          HB2   LYS+  74 - HN    THR   26  11.19 +/- 0.64   0.114% *  0.4611% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    THR   26  18.58 +/- 0.94   0.005% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  22.06 +/- 1.61   0.002% *  0.4172% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.08 +/- 1.02   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  25.79 +/- 1.76   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  24.97 +/- 0.91   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  26.07 +/- 1.70   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 0.0199, residual support = 0.0199:
          HB2   LEU   31 - HN    THR   26   9.63 +/- 0.20  41.105% * 11.0578% (0.69   0.02   0.02) =  48.236%  kept
          HB3   LEU   80 - HN    THR   26  10.84 +/- 2.89  35.740% *  8.4695% (0.53   0.02   0.02) =  32.123%  kept
          QG2   THR   77 - HN    THR   26  11.63 +/- 1.04  15.269% *  7.8357% (0.49   0.02   0.02) =  12.696%  kept
          HB3   ASP-  44 - HN    THR   26  14.43 +/- 1.78   4.634% *  4.9686% (0.31   0.02   0.02) =   2.444%  kept
          QB    ALA   88 - HN    THR   26  17.50 +/- 1.68   1.422% * 13.9639% (0.87   0.02   0.02) =   2.108%  kept
          HG2   LYS+  38 - HN    THR   26  20.02 +/- 1.92   0.679% * 16.0623% (1.00   0.02   0.02) =   1.157%  kept
          HG2   LYS+  99 - HN    THR   26  20.68 +/- 1.14   0.437% * 15.5357% (0.97   0.02   0.02) =   0.721%  kept
          HB2   LEU   63 - HN    THR   26  19.98 +/- 1.01   0.537% *  6.6181% (0.41   0.02   0.02) =   0.377%
          HG2   LYS+ 111 - HN    THR   26  27.38 +/- 1.91   0.082% * 12.3026% (0.76   0.02   0.02) =   0.107%
          QB    ALA  124 - HN    THR   26  26.67 +/- 1.22   0.095% *  3.1858% (0.20   0.02   0.02) =   0.032%
    Distance limit 4.55 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 33.5:
      O   HA    VAL   24 - HN    GLU-  25   3.57 +/- 0.02  99.993% * 99.8455% (0.92  10.0   5.66  33.47) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  19.81 +/- 0.64   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  20.72 +/- 1.19   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  24.33 +/- 1.27   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.05, residual support = 127.5:
      O   HB2   GLU-  25 - HN    GLU-  25   2.77 +/- 0.39  99.327% * 99.5608% (0.61  10.0   6.05 127.47) = 100.000%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.28 +/- 0.89   0.500% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.87 +/- 0.72   0.167% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.69 +/- 1.16   0.002% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  21.52 +/- 2.00   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  18.72 +/- 1.88   0.001% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.30 +/- 0.59   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.82, residual support = 127.5:
      O   HB3   GLU-  25 - HN    GLU-  25   2.64 +/- 0.71  99.663% * 98.7761% (0.57  10.0   5.82 127.47) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.65 +/- 0.98   0.125% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   9.48 +/- 1.13   0.186% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.78 +/- 0.73   0.019% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  18.57 +/- 0.43   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  19.35 +/- 0.82   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  20.95 +/- 1.59   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  20.44 +/- 2.04   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.68 +/- 1.39   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  26.77 +/- 1.88   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  23.42 +/- 1.87   0.001% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  26.92 +/- 1.29   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.77 +/- 1.09   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  25.62 +/- 1.06   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 = 3.21, residual support = 6.26:
          QG2   THR   23 - HN    GLU-  25   2.91 +/- 1.14  99.664% * 98.5931% (0.73   3.21   6.26) =  99.998%  kept
          QG2   THR   77 - HN    GLU-  25  10.50 +/- 1.16   0.238% *  0.6135% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  11.94 +/- 0.54   0.072% *  0.3171% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.52 +/- 1.84   0.019% *  0.2882% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  18.26 +/- 1.43   0.008% *  0.1881% (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 = 4.71, residual support = 33.5:
          QG2   VAL   24 - HN    GLU-  25   2.94 +/- 0.82  99.994% * 99.2612% (0.97   4.71  33.47) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  18.90 +/- 1.09   0.004% *  0.1640% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  22.06 +/- 1.32   0.002% *  0.3790% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  28.42 +/- 1.79   0.000% *  0.1959% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 127.5:
          HG2   GLU-  25 - HN    GLU-  25   3.58 +/- 0.52  99.925% * 99.4269% (0.97   5.23 127.47) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  15.01 +/- 2.82   0.066% *  0.1215% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  18.21 +/- 0.96   0.008% *  0.1916% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  28.75 +/- 1.33   0.001% *  0.1618% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  30.06 +/- 1.38   0.000% *  0.0982% (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 = 4.7, residual support = 65.6:
      O   HA    VAL   24 - HN    VAL   24   2.77 +/- 0.03  99.998% * 99.8455% (0.92  10.0   4.70  65.60) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  18.90 +/- 1.28   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.14 +/- 0.72   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  23.37 +/- 1.34   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 = 4.63, residual support = 65.6:
      O   HB    VAL   24 - HN    VAL   24   2.19 +/- 0.32  99.844% * 99.7135% (0.95  10.0   4.63  65.60) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   7.72 +/- 2.09   0.151% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.48 +/- 0.31   0.005% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  21.08 +/- 1.37   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  24.62 +/- 1.12   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.55, residual support = 24.8:
          QG2   THR   23 - HN    VAL   24   3.30 +/- 0.71  98.500% * 99.1805% (0.73   5.55  24.81) =  99.995%  kept
          QG2   THR   77 - HN    VAL   24   8.33 +/- 1.12   1.369% *  0.3574% (0.73   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    VAL   24  12.17 +/- 0.60   0.071% *  0.1847% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  13.87 +/- 1.70   0.044% *  0.1679% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  16.21 +/- 1.49   0.017% *  0.1096% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.767, support = 4.26, residual support = 65.6:
          QG1   VAL   24 - HN    VAL   24   2.89 +/- 0.56  55.420% * 77.1212% (0.90   4.05  65.60) =  81.382%  kept
          QG2   VAL   24 - HN    VAL   24   3.17 +/- 0.50  44.570% * 21.9382% (0.20   5.22  65.60) =  18.618%  kept
          HB3   LEU   31 - HN    VAL   24  12.22 +/- 0.26   0.009% *  0.0947% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  17.18 +/- 1.24   0.001% *  0.4214% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  27.24 +/- 1.58   0.000% *  0.3404% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  23.10 +/- 1.73   0.000% *  0.0841% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.795, support = 2.25, residual support = 5.18:
          QD2   LEU   80 - HN    VAL   24   5.46 +/- 4.53  61.960% * 51.0868% (0.76   2.46   6.38) =  77.598%  kept
          QD1   LEU   73 - HN    VAL   24   6.94 +/- 0.79  19.892% * 40.8224% (1.00   1.51   1.04) =  19.907%  kept
          QG1   VAL   83 - HN    VAL   24   5.35 +/- 1.81  15.803% *  6.4256% (0.15   1.53   0.95) =   2.489%  kept
          QG2   VAL   41 - HN    VAL   24  10.04 +/- 0.78   2.135% *  0.0735% (0.14   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    VAL   24  15.53 +/- 1.46   0.074% *  0.5418% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    VAL   24  16.63 +/- 1.09   0.070% *  0.3294% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   24  19.44 +/- 1.43   0.027% *  0.4348% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  18.09 +/- 1.11   0.039% *  0.2857% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 6 structures by 0.64 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   4.51 +/- 0.04  99.970% * 99.6204% (0.99   5.14  21.17) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  19.57 +/- 0.85   0.016% *  0.3267% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  20.35 +/- 1.95   0.014% *  0.0529% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.01 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   4.43 +/- 0.05  99.962% * 99.7230% (0.76   5.74  21.17) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  17.26 +/- 0.76   0.030% *  0.0900% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  21.98 +/- 1.68   0.008% *  0.1870% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.13, residual support = 4.59:
          HB3   CYS   21 - HN    THR   23   4.09 +/- 0.48 100.000% *100.0000% (1.00   2.13   4.59) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 1.87, residual support = 12.8:
          QG2   THR   26 - HN    THR   23   4.50 +/- 0.13  94.718% * 89.4167% (0.73   1.88  12.83) =  99.602%  kept
          HB2   LYS+  74 - HN    THR   23   7.60 +/- 0.77   5.216% *  6.4810% (0.95   0.10   0.02) =   0.398%
          HB3   LEU   40 - HN    THR   23  18.35 +/- 1.08   0.022% *  0.9501% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  19.09 +/- 1.63   0.019% *  0.8464% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  23.23 +/- 1.79   0.006% *  0.6369% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.41 +/- 0.79   0.005% *  0.6369% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  24.42 +/- 1.64   0.004% *  0.7408% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  21.13 +/- 1.02   0.009% *  0.2913% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.61, residual support = 18.7:
          QG2   THR   23 - HN    THR   23   3.20 +/- 0.60  99.471% * 97.6306% (0.41   4.61  18.75) =  99.995%  kept
          QG2   THR   77 - HN    THR   23   8.95 +/- 0.96   0.459% *  0.9953% (0.97   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    THR   23  12.13 +/- 0.72   0.055% *  0.1591% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  15.95 +/- 1.47   0.011% *  0.6671% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.69 +/- 2.11   0.002% *  0.3183% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.41 +/- 1.00   0.002% *  0.2296% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.368, support = 0.938, residual support = 0.876:
          QD2   LEU   80 - HN    THR   23   6.28 +/- 3.11  38.292% * 33.5718% (0.20   1.48   1.27) =  42.325%  kept
          QD1   LEU   73 - HN    THR   23   6.62 +/- 0.49  30.864% * 32.8873% (0.53   0.55   0.11) =  33.418%  kept
          QD1   LEU   80 - HN    THR   23   6.95 +/- 3.52  27.046% * 27.0460% (0.45   0.53   1.27) =  24.083%  kept
          QG2   VAL   41 - HN    THR   23  10.26 +/- 0.77   2.548% *  1.4785% (0.65   0.02   0.02) =   0.124%
          QD2   LEU   98 - HN    THR   23  12.04 +/- 1.37   0.836% *  1.0247% (0.45   0.02   0.02) =   0.028%
          QD2   LEU   63 - HN    THR   23  15.79 +/- 1.06   0.159% *  2.2805% (1.00   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    THR   23  14.74 +/- 1.34   0.211% *  1.2025% (0.53   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    THR   23  19.04 +/- 1.32   0.044% *  0.5088% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 8 structures by 0.94 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   3.13 +/- 0.41  99.999% * 99.9260% (0.98  10.0   3.46  34.49) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  23.52 +/- 2.02   0.001% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.39, residual support = 157.1:
          HG3   ARG+  54 - HN    ARG+  54   3.46 +/- 0.44  71.398% * 94.9179% (0.26   6.41 157.64) =  99.681%  kept
          QB    ALA   57 - HN    ARG+  54   4.23 +/- 0.47  26.098% *  0.8144% (0.72   0.02   0.02) =   0.313%
          QB    ALA   57 - HN    ASP-  62   6.29 +/- 0.42   2.205% *  0.1524% (0.14   0.02   0.02) =   0.005%
          HD3   LYS+ 111 - HN    ARG+  54  13.89 +/- 1.64   0.027% *  0.8533% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ARG+  54  13.01 +/- 1.24   0.034% *  0.4777% (0.42   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.48 +/- 1.15   0.157% *  0.0894% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.33 +/- 1.35   0.040% *  0.1954% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.00 +/- 1.05   0.031% *  0.0554% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  21.83 +/- 1.74   0.001% *  1.0445% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.00 +/- 1.43   0.007% *  0.1597% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  20.11 +/- 1.78   0.003% *  0.1954% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  26.06 +/- 1.68   0.000% *  1.0445% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.36, residual support = 28.3:
      O   HB2   CYS   21 - HN    CYS   21   2.65 +/- 0.35  99.949% * 99.8975% (0.90  10.0   3.36  28.33) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  12.08 +/- 0.73   0.020% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.68 +/- 1.19   0.026% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.19 +/- 0.92   0.004% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.57 +/- 1.53   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.62 +/- 0.97   0.000% *  0.0316% (0.28   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 = 3.36, residual support = 28.3:
      O   HB3   CYS   21 - HN    CYS   21   3.57 +/- 0.11  99.932% * 99.8170% (0.53  10.0   3.36  28.33) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.48 +/- 1.00   0.025% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.64 +/- 1.58   0.041% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.76 +/- 1.08   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.305, support = 0.0194, residual support = 0.0895:
          HG    LEU  123 - HN    ILE  119   6.83 +/- 0.94  44.592% *  3.5886% (0.32   0.02   0.14) =  59.340%  kept
          QB    LYS+  66 - HN    ILE  119   8.87 +/- 1.99  15.885% *  2.1815% (0.19   0.02   0.02) =  12.850%  kept
          HB3   ASP- 105 - HN    ILE  119   7.57 +/- 1.25  29.002% *  1.1101% (0.10   0.02   0.02) =  11.939%  kept
          HB    VAL   41 - HN    CYS   21  11.19 +/- 1.20   2.381% *  9.1141% (0.80   0.02   0.02) =   8.046%  kept
          QB    LYS+  33 - HN    CYS   21  10.69 +/- 0.55   2.865% *  2.5341% (0.22   0.02   0.02) =   2.693%  kept
          HG12  ILE  103 - HN    CYS   21  16.98 +/- 1.25   0.178% * 10.5070% (0.92   0.02   0.02) =   0.693%  kept
          HG3   PRO   68 - HN    ILE  119  14.65 +/- 2.35   1.061% *  1.4786% (0.13   0.02   0.02) =   0.582%  kept
          HG2   PRO   93 - HN    ILE  119  12.57 +/- 1.53   1.271% *  1.2268% (0.11   0.02   0.02) =   0.578%  kept
          QB    LYS+  66 - HN    CYS   21  16.57 +/- 0.72   0.204% *  6.9036% (0.61   0.02   0.02) =   0.521%  kept
          HB3   PRO   52 - HN    ILE  119  15.58 +/- 1.27   0.319% *  3.5886% (0.32   0.02   0.02) =   0.424%
          HG12  ILE  103 - HN    ILE  119  15.40 +/- 1.13   0.325% *  3.3201% (0.29   0.02   0.02) =   0.400%
          HG2   PRO   93 - HN    CYS   21  17.82 +/- 1.83   0.236% *  3.8825% (0.34   0.02   0.02) =   0.340%
          HB3   PRO   52 - HN    CYS   21  20.43 +/- 1.65   0.064% * 11.3569% (1.00   0.02   0.02) =   0.268%
          HB    VAL   41 - HN    ILE  119  16.55 +/- 1.41   0.217% *  2.8799% (0.25   0.02   0.02) =   0.232%
          HB    ILE  103 - HN    ILE  119  15.40 +/- 1.17   0.331% *  1.3499% (0.12   0.02   0.02) =   0.165%
          HG    LEU  123 - HN    CYS   21  22.70 +/- 2.13   0.036% * 11.3569% (1.00   0.02   0.02) =   0.151%
          HG3   PRO   68 - HN    CYS   21  19.10 +/- 0.85   0.086% *  4.6793% (0.41   0.02   0.02) =   0.150%
          HG2   ARG+  54 - HN    CYS   21  19.35 +/- 1.50   0.087% *  3.8825% (0.34   0.02   0.02) =   0.125%
          HB    ILE  103 - HN    CYS   21  19.43 +/- 1.19   0.078% *  4.2718% (0.38   0.02   0.02) =   0.123%
          HB3   ASP- 105 - HN    CYS   21  19.80 +/- 1.00   0.066% *  3.5131% (0.31   0.02   0.02) =   0.086%
          QB    LYS+ 102 - HN    ILE  119  15.60 +/- 1.19   0.317% *  0.6299% (0.06   0.02   0.02) =   0.074%
          HG2   ARG+  54 - HN    ILE  119  17.70 +/- 1.65   0.156% *  1.2268% (0.11   0.02   0.02) =   0.071%
          QB    LYS+ 102 - HN    CYS   21  18.89 +/- 0.86   0.090% *  1.9934% (0.18   0.02   0.02) =   0.066%
          HB3   GLN   90 - HN    CYS   21  19.25 +/- 1.38   0.089% *  1.9934% (0.18   0.02   0.02) =   0.065%
          QB    LYS+  33 - HN    ILE  119  21.80 +/- 0.94   0.039% *  0.8007% (0.07   0.02   0.02) =   0.012%
          HB3   GLN   90 - HN    ILE  119  23.24 +/- 1.49   0.026% *  0.6299% (0.06   0.02   0.02) =   0.006%
    Distance limit 3.60 A violated in 20 structures by 2.22 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.6, support = 5.1, residual support = 114.0:
          QB    ALA   20 - HN    CYS   21   3.58 +/- 0.03  49.050% * 56.7941% (0.80   3.74  15.17) =  59.221%  kept
          HG13  ILE  119 - HN    ILE  119   3.65 +/- 0.39  46.128% * 41.5795% (0.31   7.07 257.46) =  40.774%  kept
          QG2   VAL  107 - HN    ILE  119   6.04 +/- 0.73   3.273% *  0.0267% (0.07   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    CYS   21   7.87 +/- 0.45   0.460% *  0.1172% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.06 +/- 0.47   0.902% *  0.0493% (0.13   0.02   2.95) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.51 +/- 0.52   0.028% *  0.3663% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.81 +/- 1.66   0.140% *  0.0493% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.49 +/- 1.65   0.002% *  0.3721% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.24 +/- 0.68   0.009% *  0.0845% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.09 +/- 1.13   0.002% *  0.0960% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.85 +/- 1.58   0.001% *  0.1158% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  22.96 +/- 1.32   0.001% *  0.1561% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  19.53 +/- 1.53   0.002% *  0.0370% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  25.33 +/- 1.69   0.000% *  0.1561% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.533, support = 1.97, residual support = 7.44:
          QD2   LEU   73 - HN    CYS   21   5.04 +/- 0.52  46.638% * 77.5220% (0.57   2.10   8.27) =  89.670%  kept
          QD1   ILE   19 - HN    CYS   21   5.56 +/- 0.66  29.488% * 12.7820% (0.22   0.88   0.22) =   9.348%  kept
          QG2   VAL   18 - HN    CYS   21   6.69 +/- 0.62   9.041% *  3.2569% (0.65   0.08   0.02) =   0.730%  kept
          QG1   VAL   43 - HN    CYS   21   7.65 +/- 0.68   4.353% *  1.1308% (0.87   0.02   0.02) =   0.122%
          QG2   THR   46 - HN    CYS   21   8.20 +/- 0.84   3.031% *  0.6859% (0.53   0.02   0.02) =   0.052%
          QG1   VAL   41 - HN    CYS   21   9.79 +/- 1.42   1.321% *  1.2778% (0.98   0.02   0.02) =   0.042%
          HG    LEU   31 - HN    CYS   21  10.31 +/- 0.77   0.688% *  0.9466% (0.73   0.02   0.02) =   0.016%
          QD1   ILE   56 - HN    ILE  119   7.99 +/- 1.30   4.811% *  0.1271% (0.10   0.02   0.02) =   0.015%
          QG1   VAL   43 - HN    ILE  119  13.11 +/- 1.03   0.152% *  0.3573% (0.27   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ILE  119  13.32 +/- 1.09   0.143% *  0.2665% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  14.57 +/- 1.28   0.082% *  0.4038% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    CYS   21  14.91 +/- 1.44   0.073% *  0.4024% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.36 +/- 1.20   0.093% *  0.2332% (0.18   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  15.72 +/- 0.99   0.053% *  0.2167% (0.17   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  20.75 +/- 1.59   0.010% *  0.2991% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  18.41 +/- 1.47   0.021% *  0.0917% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.374, support = 4.32, residual support = 8.05:
          QD1   LEU   73 - HN    CYS   21   4.88 +/- 0.31  13.228% * 82.1043% (0.53   4.78   8.27) =  65.634%  kept
          QD2   LEU  115 - HN    ILE  119   4.01 +/- 0.70  55.132% *  8.8076% (0.07   3.84   8.89) =  29.345%  kept
          QD1   LEU   63 - HN    ILE  119   5.79 +/- 1.41  12.888% *  6.1394% (0.17   1.13   0.25) =   4.782%  kept
          QD2   LEU   63 - HN    ILE  119   5.62 +/- 1.52  14.519% *  0.2057% (0.32   0.02   0.25) =   0.180%
          QD1   LEU   80 - HN    CYS   21   9.76 +/- 3.41   1.290% *  0.2925% (0.45   0.02   0.02) =   0.023%
          QD2   LEU   80 - HN    CYS   21   8.64 +/- 3.01   2.091% *  0.1291% (0.20   0.02   0.02) =   0.016%
          QG2   VAL   41 - HN    CYS   21   8.38 +/- 0.84   0.549% *  0.4220% (0.65   0.02   0.02) =   0.014%
          QD2   LEU   98 - HN    CYS   21  10.93 +/- 1.20   0.122% *  0.2925% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    CYS   21  13.11 +/- 1.16   0.043% *  0.6509% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  12.34 +/- 1.36   0.065% *  0.3432% (0.53   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE  119  14.22 +/- 1.20   0.023% *  0.1334% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE  119  13.94 +/- 1.29   0.026% *  0.0924% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.56 +/- 0.93   0.012% *  0.1085% (0.17   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  17.13 +/- 1.38   0.008% *  0.1452% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  22.87 +/- 3.09   0.002% *  0.0924% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  21.32 +/- 3.23   0.003% *  0.0408% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.283, support = 5.82, residual support = 39.7:
          HN    THR  118 - HN    ILE  119   2.56 +/- 0.22  97.283% * 54.2329% (0.28   5.89  40.21) =  97.947%  kept
          HN    GLN  116 - HN    ILE  119   4.80 +/- 0.18   2.520% * 43.8325% (0.53   2.52  14.34) =   2.051%  kept
          HN    GLU- 114 - HN    ILE  119   7.97 +/- 0.36   0.136% *  0.6263% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.74 +/- 0.94   0.044% *  0.0896% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.04 +/- 0.49   0.010% *  0.1979% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.47 +/- 1.38   0.003% *  0.6263% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  15.21 +/- 0.83   0.002% *  0.0283% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  24.37 +/- 0.96   0.000% *  0.1979% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.92 +/- 0.81   0.000% *  0.1101% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.78 +/- 0.97   0.000% *  0.0582% (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 = 0.62, support = 2.62, residual support = 16.5:
          HN    HIS  122 - HN    ILE  119   5.19 +/- 0.26  23.535% * 73.8237% (1.00   2.27  14.26) =  51.312%  kept
          QE    PHE   59 - HN    ILE  119   4.15 +/- 0.54  75.428% * 21.8165% (0.22   3.00  18.92) =  48.599%  kept
          HN    PHE   59 - HN    ILE  119   9.27 +/- 1.04   0.962% *  3.1332% (0.57   0.17  18.92) =   0.089%
          HH2   TRP   87 - HN    CYS   21  18.69 +/- 2.80   0.016% *  0.2060% (0.32   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  16.14 +/- 2.58   0.038% *  0.0460% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.88 +/- 0.80   0.014% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  25.13 +/- 3.23   0.002% *  0.6518% (1.00   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  20.76 +/- 0.97   0.005% *  0.2060% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 15.2:
          HN    ALA   20 - HN    CYS   21   4.27 +/- 0.06  99.994% * 99.7866% (0.95   2.95  15.17) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.92 +/- 1.07   0.006% *  0.2134% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 5.56, residual support = 54.8:
        T HN    ALA  120 - HN    ILE  119   2.52 +/- 0.09  97.340% * 95.4876% (1.00 10.00   5.57  54.86) =  99.891%  kept
          HE21  GLN  116 - HN    ILE  119   5.14 +/- 0.85   2.516% *  4.0170% (0.80  1.00   1.05  14.34) =   0.109%
          HN    ALA  124 - HN    ILE  119   7.87 +/- 0.66   0.121% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    ILE  119  12.56 +/- 1.06   0.008% *  0.0693% (0.73  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.10 +/- 1.88   0.014% *  0.0053% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.95 +/- 0.80   0.000% *  0.3017% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  18.21 +/- 0.88   0.001% *  0.0219% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.71 +/- 1.29   0.000% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.09 +/- 1.51   0.000% *  0.0242% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.74 +/- 1.83   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  26.15 +/- 1.77   0.000% *  0.0189% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.04 +/- 1.13   0.000% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.28, residual support = 40.2:
          HB    THR  118 - HN    ILE  119   3.50 +/- 0.21  99.899% * 98.0410% (0.98   5.28  40.21) = 100.000%  kept
          HB3   SER   37 - HN    CYS   21  14.84 +/- 0.84   0.020% *  0.1073% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  14.49 +/- 1.09   0.023% *  0.0915% (0.24   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.76 +/- 1.86   0.027% *  0.0492% (0.13   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  18.96 +/- 1.33   0.004% *  0.2894% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  17.15 +/- 1.47   0.008% *  0.1073% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  16.81 +/- 1.49   0.010% *  0.0869% (0.23   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  21.73 +/- 1.02   0.002% *  0.3397% (0.90   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.56 +/- 1.50   0.002% *  0.3397% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  20.03 +/- 1.06   0.003% *  0.1173% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.98 +/- 1.29   0.001% *  0.2750% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  28.36 +/- 2.24   0.000% *  0.1557% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 8.04, residual support = 257.5:
          HG12  ILE  119 - HN    ILE  119   2.60 +/- 0.27  99.316% * 97.7859% (0.90   8.04 257.46) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   7.32 +/- 1.31   0.381% *  0.0367% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.58 +/- 0.92   0.108% *  0.0768% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.54 +/- 0.54   0.098% *  0.0827% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.33 +/- 0.58   0.055% *  0.0451% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.35 +/- 0.96   0.007% *  0.2431% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.63 +/- 1.23   0.005% *  0.2616% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  13.29 +/- 1.78   0.012% *  0.0791% (0.29   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.49 +/- 1.36   0.011% *  0.0686% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.23 +/- 1.23   0.001% *  0.2171% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  17.01 +/- 1.57   0.002% *  0.1115% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  17.19 +/- 1.41   0.002% *  0.0849% (0.31   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  21.75 +/- 1.12   0.000% *  0.2687% (0.99   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  23.18 +/- 1.70   0.000% *  0.2503% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.44 +/- 1.08   0.001% *  0.0768% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  18.46 +/- 1.58   0.001% *  0.0352% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.90 +/- 1.23   0.000% *  0.1426% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  21.16 +/- 1.79   0.000% *  0.0292% (0.11   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.75 +/- 1.09   0.001% *  0.0116% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.63 +/- 1.76   0.000% *  0.0925% (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 = 257.5:
      O   HB    ILE  119 - HN    ILE  119   2.26 +/- 0.13  99.684% * 99.0354% (0.92  10.0   7.56 257.46) = 100.000%  kept
          HB2   GLN   30 - HN    CYS   21   7.17 +/- 0.70   0.129% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    CYS   21   7.24 +/- 0.59   0.106% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.57 +/- 1.34   0.022% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.02 +/- 1.44   0.009% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  11.90 +/- 2.20   0.011% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  15.73 +/- 2.24   0.002% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.27 +/- 0.55   0.013% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.81 +/- 0.24   0.016% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.28 +/- 1.05   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.09 +/- 0.44   0.003% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.54 +/- 1.79   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  15.80 +/- 2.10   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.44 +/- 1.12   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.82 +/- 1.36   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  19.15 +/- 2.01   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.35 +/- 1.33   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.71 +/- 1.12   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.59 +/- 1.78   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.67 +/- 1.42   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.60 +/- 1.13   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  20.81 +/- 1.09   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.69 +/- 1.77   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  28.37 +/- 1.13   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.897, support = 6.64, residual support = 228.6:
          HG13  ILE  119 - HN    ILE  119   3.65 +/- 0.39  39.426% * 85.0915% (0.99   7.07 257.46) =  88.252%  kept
          QB    ALA   20 - HN    CYS   21   3.58 +/- 0.03  39.349% *  8.6934% (0.19   3.74  15.17) =   8.999%  kept
          QG1   VAL  107 - HN    ILE  119   4.35 +/- 0.88  19.971% *  5.2290% (0.20   2.18   0.02) =   2.747%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.06 +/- 0.47   0.738% *  0.0605% (0.25   0.02   2.95) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119  10.81 +/- 1.66   0.104% *  0.1472% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   7.87 +/- 0.45   0.376% *  0.0373% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.51 +/- 0.52   0.023% *  0.0765% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.09 +/- 1.13   0.002% *  0.1472% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.85 +/- 1.58   0.001% *  0.2422% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  19.53 +/- 1.53   0.002% *  0.1182% (0.49   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.49 +/- 1.65   0.002% *  0.0760% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.93 +/- 0.74   0.005% *  0.0152% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  25.33 +/- 1.69   0.000% *  0.0465% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  22.96 +/- 1.32   0.001% *  0.0191% (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 = 0.495, support = 0.0197, residual support = 3.39:
          HG3   LYS+  74 - HN    CYS   21   6.38 +/- 0.57  40.281% *  3.7747% (0.23   0.02   9.35) =  29.545%  kept
          HB    VAL   75 - HN    CYS   21   6.76 +/- 1.11  32.947% *  3.9726% (0.24   0.02   2.43) =  25.433%  kept
          QD1   LEU   67 - HN    ILE  119   9.60 +/- 2.63   8.524% * 15.1858% (0.92   0.02   0.02) =  25.151%  kept
          QD2   LEU   40 - HN    ILE  119  10.29 +/- 1.18   2.987% * 15.5616% (0.95   0.02   0.02) =   9.031%  kept
          QG2   ILE  103 - HN    ILE  119  10.95 +/- 0.98   1.763% * 13.7407% (0.84   0.02   0.02) =   4.707%  kept
          QD2   LEU   71 - HN    CYS   21   8.57 +/- 1.09   9.126% *  1.2962% (0.08   0.02   0.02) =   2.298%  kept
          QD1   LEU   67 - HN    CYS   21  12.45 +/- 1.85   1.667% *  4.7985% (0.29   0.02   0.02) =   1.554%  kept
          QD2   LEU   40 - HN    CYS   21  12.34 +/- 0.93   0.914% *  4.9173% (0.30   0.02   0.02) =   0.873%  kept
          QD2   LEU   71 - HN    ILE  119  15.32 +/- 2.20   0.494% *  4.1020% (0.25   0.02   0.02) =   0.394%
          QD1   ILE  103 - HN    ILE  119  12.88 +/- 1.25   0.666% *  2.8810% (0.18   0.02   0.02) =   0.373%
          HB    VAL   75 - HN    ILE  119  18.10 +/- 1.42   0.102% * 12.5720% (0.76   0.02   0.02) =   0.249%
          HG3   LYS+  74 - HN    ILE  119  18.36 +/- 1.24   0.090% * 11.9456% (0.73   0.02   0.02) =   0.208%
          QG2   ILE  103 - HN    CYS   21  16.10 +/- 0.90   0.158% *  4.3419% (0.26   0.02   0.02) =   0.134%
          QD1   ILE  103 - HN    CYS   21  14.65 +/- 1.24   0.282% *  0.9104% (0.06   0.02   0.02) =   0.050%
    Distance limit 3.54 A violated in 19 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.64, residual support = 40.2:
          QG2   THR  118 - HN    ILE  119   3.18 +/- 0.68  99.988% * 99.9049% (0.57   6.64  40.21) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.29 +/- 0.87   0.012% *  0.0951% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.796, support = 4.19, residual support = 52.3:
          QB    ALA  120 - HN    ILE  119   4.07 +/- 0.10  69.332% * 67.7912% (0.80   4.38  54.86) =  94.538%  kept
          HB3   LEU  115 - HN    ILE  119   5.84 +/- 0.61  10.132% * 12.2065% (0.95   0.67   8.89) =   2.488%  kept
          HG    LEU  115 - HN    ILE  119   6.08 +/- 0.55   6.774% * 12.3302% (0.80   0.80   8.89) =   1.680%  kept
          HG    LEU   73 - HN    CYS   21   6.12 +/- 1.09  11.982% *  5.3451% (0.15   1.80   8.27) =   1.288%  kept
          QG    LYS+  66 - HN    ILE  119   9.37 +/- 2.53   1.105% *  0.1193% (0.31   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  12.24 +/- 2.65   0.230% *  0.3831% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  12.73 +/- 1.71   0.104% *  0.3656% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.54 +/- 1.52   0.062% *  0.2188% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.44 +/- 1.31   0.106% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.92 +/- 1.27   0.033% *  0.1155% (0.30   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.70 +/- 1.83   0.027% *  0.1211% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.74 +/- 2.49   0.012% *  0.2344% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.10 +/- 1.10   0.014% *  0.1881% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.09 +/- 1.13   0.029% *  0.0691% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.56 +/- 0.93   0.006% *  0.1155% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  14.98 +/- 1.00   0.031% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  21.17 +/- 1.72   0.004% *  0.0978% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.59 +/- 0.95   0.011% *  0.0377% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  21.03 +/- 0.69   0.004% *  0.0978% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.60 +/- 1.26   0.003% *  0.0741% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.997, support = 1.68, residual support = 2.42:
          QG2   VAL   75 - HN    CYS   21   4.88 +/- 0.77  92.441% * 98.1689% (1.00   1.68   2.43) =  99.949%  kept
          QG2   VAL   42 - HN    CYS   21  10.01 +/- 1.21   2.651% *  1.1102% (0.95   0.02   0.02) =   0.032%
          QG2   VAL   42 - HN    ILE  119   9.13 +/- 1.23   4.764% *  0.3508% (0.30   0.02   0.02) =   0.018%
          QG2   VAL   75 - HN    ILE  119  15.76 +/- 1.30   0.143% *  0.3700% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 5 structures by 0.59 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.74, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.03 +/- 0.09  99.999% * 99.6430% (0.84  10.0   3.74  15.24) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.69 +/- 0.64   0.000% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.95 +/- 0.61   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.48 +/- 0.95   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.74 +/- 1.86   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  23.76 +/- 1.49   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.69, residual support = 25.6:
          QG2   ILE   19 - HN    ALA   20   3.18 +/- 0.19  99.991% * 99.7556% (0.99   3.69  25.57) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.14 +/- 0.94   0.009% *  0.2444% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 172.0:
      O   HB    ILE   19 - HN    ILE   19   2.31 +/- 0.24  99.592% * 99.4048% (0.97  10.0   5.86 172.03) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.04 +/- 0.31   0.352% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.60 +/- 0.49   0.044% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.46 +/- 0.98   0.003% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.08 +/- 1.82   0.005% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  14.90 +/- 0.27   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.36 +/- 1.37   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  18.32 +/- 0.95   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.58 +/- 1.11   0.000% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.37 +/- 1.79   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 6.02, residual support = 166.5:
          HG12  ILE   19 - HN    ILE   19   3.65 +/- 0.64  76.744% * 78.1476% (0.73   6.18 172.03) =  96.675%  kept
          HG    LEU   73 - HN    ILE   19   5.54 +/- 0.74  10.057% * 14.8346% (0.80   1.06   4.00) =   2.405%  kept
          HB3   LYS+  74 - HN    ILE   19   5.67 +/- 0.92  12.018% *  4.7271% (0.18   1.55   8.32) =   0.916%  kept
          QB    ALA   61 - HN    ILE   19   9.67 +/- 1.08   0.351% *  0.3359% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   19   9.75 +/- 1.30   0.319% *  0.3481% (1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE   19  10.52 +/- 2.24   0.270% *  0.0775% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  13.16 +/- 0.99   0.050% *  0.3293% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.49 +/- 1.17   0.122% *  0.1074% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  16.04 +/- 3.08   0.023% *  0.2908% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.45 +/- 1.90   0.009% *  0.2787% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  15.70 +/- 2.13   0.020% *  0.1074% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.46 +/- 0.94   0.008% *  0.1074% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  20.24 +/- 1.17   0.003% *  0.2391% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  18.73 +/- 2.32   0.006% *  0.0689% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 171.9:
          HG13  ILE   19 - HN    ILE   19   3.66 +/- 0.66  86.587% * 97.9820% (0.97   5.86 172.03) =  99.951%  kept
          HG    LEU   71 - HN    ILE   19   7.02 +/- 1.61   8.814% *  0.3397% (0.98   0.02   0.02) =   0.035%
          HG2   LYS+  74 - HN    ILE   19   7.30 +/- 0.95   2.743% *  0.3435% (0.99   0.02   8.32) =   0.011%
          QG2   THR   39 - HN    ILE   19   8.58 +/- 0.76   0.777% *  0.2381% (0.69   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    ILE   19   8.91 +/- 1.02   0.863% *  0.0469% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  16.77 +/- 3.20   0.133% *  0.1425% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  13.61 +/- 1.59   0.050% *  0.0864% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.75 +/- 1.13   0.012% *  0.3458% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.08 +/- 0.86   0.016% *  0.2381% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  20.03 +/- 1.24   0.004% *  0.1301% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.11 +/- 1.79   0.002% *  0.1070% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.86, residual support = 22.6:
          QG1   VAL   18 - HN    ILE   19   2.61 +/- 0.32  96.134% * 96.3988% (0.34   4.86  22.63) =  99.967%  kept
          QD1   LEU   71 - HN    ILE   19   5.93 +/- 1.68   3.709% *  0.7990% (0.69   0.02   0.02) =   0.032%
          QG1   VAL   70 - HN    ILE   19   8.93 +/- 1.01   0.148% *  0.5215% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  14.77 +/- 2.01   0.004% *  0.7990% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.57 +/- 1.04   0.001% *  1.1226% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  15.80 +/- 2.20   0.003% *  0.3590% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.819, support = 4.83, residual support = 62.4:
          QG2   VAL   18 - HN    ILE   19   3.83 +/- 0.38  37.025% * 57.3805% (0.97   4.84  22.63) =  67.667%  kept
          QD1   ILE   19 - HN    ILE   19   4.15 +/- 0.65  22.699% * 37.6521% (0.57   5.42 172.03) =  27.222%  kept
          QD2   LEU   73 - HN    ILE   19   3.95 +/- 0.89  39.083% *  4.0991% (0.22   1.50   4.00) =   5.103%  kept
          QG1   VAL   41 - HN    ILE   19   8.41 +/- 1.47   0.584% *  0.2202% (0.90   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    ILE   19   8.10 +/- 0.70   0.416% *  0.2433% (0.99   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    ILE   19   9.86 +/- 1.02   0.125% *  0.2202% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  11.36 +/- 0.84   0.055% *  0.0837% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  14.82 +/- 1.21   0.012% *  0.1009% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.709, support = 4.28, residual support = 24.9:
          HG12  ILE   19 - HN    ALA   20   4.33 +/- 0.89  65.352% * 82.0403% (0.73   4.40  25.57) =  96.243%  kept
          HB3   LYS+  74 - HN    ALA   20   5.24 +/- 0.81  30.274% *  5.8932% (0.18   1.31   8.19) =   3.203%  kept
          HG    LEU   73 - HN    ALA   20   8.19 +/- 1.04   3.518% *  8.6902% (0.80   0.42   0.02) =   0.549%  kept
          QB    ALA   61 - HN    ALA   20  11.41 +/- 1.25   0.390% *  0.4952% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   20  13.86 +/- 1.32   0.093% *  0.5131% (1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA   20  14.44 +/- 2.51   0.087% *  0.4286% (0.84   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  16.35 +/- 1.20   0.033% *  0.4854% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  14.48 +/- 2.47   0.120% *  0.1142% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   20  14.37 +/- 1.64   0.070% *  0.1584% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.63 +/- 1.18   0.036% *  0.1584% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  19.37 +/- 2.18   0.012% *  0.4108% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.69 +/- 1.10   0.007% *  0.1584% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.63 +/- 1.23   0.003% *  0.3524% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  22.89 +/- 2.33   0.005% *  0.1015% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.438, support = 2.38, residual support = 8.13:
          HB3   LYS+  74 - HN    CYS   21   4.16 +/- 0.44  62.465% * 12.9503% (0.18   2.83   9.35) =  54.864%  kept
          HG    LEU   73 - HN    CYS   21   6.12 +/- 1.09  13.493% * 37.6898% (0.80   1.80   8.27) =  34.492%  kept
          HG12  ILE   19 - HN    CYS   21   6.88 +/- 0.26   3.103% * 41.7326% (0.73   2.20   0.22) =   8.783%  kept
          HB3   LEU  115 - HN    ILE  119   5.84 +/- 0.61  11.102% *  1.7046% (0.10   0.67   8.89) =   1.284%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.50 +/- 0.99   6.568% *  1.1916% (0.06   0.73   2.95) =   0.531%  kept
          HG    LEU   80 - HN    CYS   21  11.06 +/- 3.33   0.598% *  0.4373% (0.84   0.02   0.02) =   0.018%
          QG    LYS+  66 - HN    ILE  119   9.37 +/- 2.53   1.110% *  0.1565% (0.30   0.02   0.02) =   0.012%
          HB2   LEU   80 - HN    CYS   21  11.00 +/- 2.20   0.352% *  0.1616% (0.31   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    CYS   21  12.45 +/- 1.03   0.099% *  0.5052% (0.97   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    ILE  119  10.48 +/- 1.00   0.309% *  0.1325% (0.25   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ILE  119  11.24 +/- 0.84   0.177% *  0.1596% (0.30   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    CYS   21  14.98 +/- 1.00   0.033% *  0.5235% (1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.44 +/- 1.31   0.103% *  0.1654% (0.32   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  12.24 +/- 2.65   0.238% *  0.0368% (0.07   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    CYS   21  14.92 +/- 1.27   0.036% *  0.1616% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.59 +/- 0.95   0.011% *  0.4952% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.73 +/- 1.71   0.107% *  0.0511% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  17.89 +/- 1.98   0.012% *  0.4192% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.70 +/- 1.83   0.030% *  0.1165% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.10 +/- 1.10   0.015% *  0.1325% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.74 +/- 2.49   0.013% *  0.1136% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.60 +/- 1.26   0.003% *  0.3596% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.56 +/- 0.93   0.006% *  0.1616% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  20.93 +/- 1.82   0.004% *  0.1201% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  21.95 +/- 2.08   0.003% *  0.1036% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  19.05 +/- 1.11   0.007% *  0.0290% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  26.60 +/- 3.33   0.001% *  0.1382% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  25.14 +/- 2.92   0.002% *  0.0511% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.06 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   2.20 +/- 0.10  99.995% * 99.5957% (0.48  10.0   3.17  84.56) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.48 +/- 0.94   0.003% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  20.05 +/- 3.82   0.001% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.16 +/- 2.26   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.49 +/- 2.90   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.59 +/- 1.38   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.20 +/- 1.93   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.43 +/- 0.04  99.433% * 99.9055% (0.73 10.00   5.47  50.08) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.55 +/- 0.49   0.567% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.43 +/- 0.04  99.837% * 99.7850% (0.89 10.00   5.47  50.08) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.32 +/- 1.10   0.158% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  23.86 +/- 0.85   0.004% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.32:
        T HN    LYS+  74 - HN    ILE   19   4.38 +/- 0.58  99.673% * 99.4791% (0.41 10.00   3.25   8.32) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  12.02 +/- 1.01   0.278% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  17.91 +/- 1.62   0.029% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  20.75 +/- 1.68   0.015% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  23.50 +/- 0.86   0.005% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.862, support = 3.07, residual support = 3.09:
          HN    THR   26 - HN    VAL   24   4.55 +/- 0.10  87.942% * 94.4073% (0.87   3.09   3.06) =  99.252%  kept
          HN    LEU   80 - HN    VAL   24   7.75 +/- 2.60  11.951% *  5.2326% (0.20   0.75   6.38) =   0.748%  kept
          HN    ALA   34 - HN    VAL   24  14.39 +/- 0.53   0.091% *  0.0954% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  19.29 +/- 1.10   0.016% *  0.2646% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 3.62, residual support = 25.8:
          HN    THR   23 - HN    VAL   24   4.46 +/- 0.14  37.141% * 81.0347% (0.98   4.49  24.81) =  73.018%  kept
          HE3   TRP   27 - HN    VAL   24   4.12 +/- 0.65  62.366% * 17.8319% (0.76   1.27  28.38) =  26.981%  kept
          HD2   HIS   22 - HN    VAL   24   9.20 +/- 0.15   0.456% *  0.0820% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  15.08 +/- 1.14   0.024% *  0.3651% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  18.32 +/- 1.70   0.008% *  0.1256% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  22.40 +/- 0.90   0.002% *  0.3077% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  22.11 +/- 0.98   0.002% *  0.2530% (0.69   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  13.06 +/- 3.00 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.04 A violated in 20 structures by 9.02 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   2.70 +/- 0.06  96.917% * 98.9220% (0.98 10.00   4.04  18.77) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.83 +/- 0.21   3.083% *  0.0531% (0.53  1.00   0.02   6.31) =   0.002%
        T HN    LEU   80 - HN    ASN   35  23.02 +/- 2.57   0.000% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.67 +/- 1.09   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  26.31 +/- 2.75   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 +/- 0.06  99.999% * 99.7690% (0.98 10.00   3.97  19.44) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  15.98 +/- 0.58   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.63 +/- 1.50   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  28.26 +/- 1.70   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 = 5.3, residual support = 28.8:
        T HN    LYS+  38 - HN    THR   39   2.82 +/- 0.28  99.921% * 99.8693% (1.00 10.00   5.30  28.84) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.24 +/- 0.62   0.078% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.00 +/- 0.93   0.001% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.50 +/- 1.16   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 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   2.57 +/- 0.48  99.775% * 99.8546% (0.76   4.00  16.41) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.48 +/- 0.69   0.225% *  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 = 4.35, residual support = 7.16:
          HN    LEU   73 - HN    ASP-  44   4.15 +/- 0.34  92.878% * 71.9607% (0.38   4.43   7.36) =  97.238%  kept
          HN    VAL   42 - HN    ASP-  44   6.46 +/- 0.17   6.982% * 27.1753% (0.38   1.67   0.02) =   2.761%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.52 +/- 0.65   0.140% *  0.8639% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.74, residual support = 35.4:
          HN    VAL   42 - HN    VAL   43   4.41 +/- 0.10  70.865% * 74.6792% (0.38   6.22  39.00) =  88.399%  kept
          HN    LEU   73 - HN    VAL   43   5.24 +/- 0.50  28.110% * 24.6829% (0.38   2.06   8.05) =  11.590%  kept
          HN    LYS+ 106 - HN    VAL   43   9.27 +/- 0.73   1.025% *  0.6379% (1.00   0.02   0.02) =   0.011%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.782, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44  10.73 +/- 0.98  56.389% * 15.3753% (0.65   0.02   0.02) =  48.348%  kept
          HN    ALA   84 - HN    ASP-  44  13.84 +/- 1.23  13.757% * 23.7147% (1.00   0.02   0.02) =  18.193%  kept
          HN    ILE   56 - HN    ASP-  44  13.16 +/- 1.07  17.907% * 18.1638% (0.76   0.02   0.02) =  18.138%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.62 +/- 1.47  10.119% * 23.7147% (1.00   0.02   0.02) =  13.382%  kept
          HE21  GLN   32 - HN    ASP-  44  19.45 +/- 1.54   1.828% * 19.0315% (0.80   0.02   0.02) =   1.940%  kept
    Distance limit 4.22 A violated in 20 structures by 5.46 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.579, support = 0.02, residual support = 0.468:
          QD    PHE   60 - HN    ASP-  44   6.36 +/- 0.85  80.085% * 13.9289% (0.41   0.02   0.70) =  65.573%  kept
          QE    PHE   59 - HN    ASP-  44  10.08 +/- 3.10  16.518% * 31.2761% (0.92   0.02   0.02) =  30.369%  kept
          HN    LYS+  66 - HN    ASP-  44  13.34 +/- 0.75   1.191% * 30.3855% (0.90   0.02   0.02) =   2.127%  kept
          HN    PHE   59 - HN    ASP-  44  12.43 +/- 1.09   1.527% * 19.1819% (0.57   0.02   0.02) =   1.722%  kept
          HN    LYS+  81 - HN    ASP-  44  15.58 +/- 1.87   0.680% *  5.2277% (0.15   0.02   0.02) =   0.209%
    Distance limit 4.51 A violated in 17 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.666, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  12.01 +/- 1.25  76.688% * 29.1578% (0.63   0.02   0.02) =  72.738%  kept
          HD21  ASN   69 - HN    ASP-  62  15.16 +/- 1.20  22.104% * 36.0114% (0.77   0.02   0.02) =  25.893%  kept
          HN    TRP   87 - HN    ASP-  62  24.39 +/- 0.94   1.208% * 34.8308% (0.75   0.02   0.02) =   1.369%  kept
    Distance limit 3.41 A violated in 20 structures by 8.02 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.84, residual support = 42.4:
        T HN    LEU   63 - HN    ASP-  62   2.57 +/- 0.08  99.946% * 98.0197% (0.32 10.00   5.84  42.37) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.25 +/- 0.48   0.049% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  13.93 +/- 1.74   0.005% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  23.12 +/- 0.87   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.44 +/- 1.32   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   8.21 +/- 0.37  98.036% * 48.0011% (0.92   0.02   0.02) =  97.875%  kept
          HN    ALA  110 - HN    LEU   73  16.29 +/- 1.93   1.964% * 51.9989% (1.00   0.02   0.02) =   2.125%  kept
    Distance limit 3.99 A violated in 20 structures by 4.20 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.363, support = 4.12, residual support = 23.0:
          HN    VAL   75 - HN    ASP-  76   4.17 +/- 0.09  81.768% * 48.6847% (0.28   4.64  27.64) =  81.139%  kept
          HN    ASP-  78 - HN    ASP-  76   5.43 +/- 0.41  18.227% * 50.7672% (0.73   1.85   2.95) =  18.861%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.53 +/- 1.06   0.005% *  0.3383% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.83 +/- 2.02   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 = 5.43, residual support = 28.5:
        T HN    LYS+ 111 - HN    LYS+ 112   4.11 +/- 0.50  97.344% * 99.6886% (0.87 10.00   5.43  28.51) =  99.998%  kept
          HN    ILE   56 - HN    LYS+ 112   8.09 +/- 1.02   2.573% *  0.0559% (0.49  1.00   0.02   6.09) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  13.95 +/- 1.07   0.080% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.42 +/- 2.10   0.004% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  34.88 +/- 2.04   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.369, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   7.78 +/- 0.99  83.262% * 11.5373% (0.28   0.02   0.02) =  71.815%  kept
          QD    PHE   60 - HN    GLN  116  11.08 +/- 1.21  12.720% * 26.8436% (0.65   0.02   0.02) =  25.525%  kept
          HN    LYS+  66 - HN    GLN  116  13.83 +/- 1.19   3.775% *  8.2119% (0.20   0.02   0.02) =   2.317%  kept
          HE3   TRP   27 - HN    GLN  116  21.92 +/- 0.88   0.198% * 14.1544% (0.34   0.02   0.02) =   0.210%
          HN    LYS+  81 - HN    GLN  116  27.99 +/- 1.93   0.045% * 39.2529% (0.95   0.02   0.02) =   0.132%
    Distance limit 4.30 A violated in 20 structures by 3.23 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 5.93, residual support = 52.8:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  80.537% * 85.9678% (0.80  10.0   6.01  54.86) =  96.286%  kept
          HA    THR  118 - HN    ALA  120   4.61 +/- 0.24  19.362% * 13.7916% (0.67   1.0   3.83   0.14) =   3.714%  kept
          HD3   PRO   58 - HN    ALA  120  12.62 +/- 1.42   0.071% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.56 +/- 1.67   0.027% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.12 +/- 0.91   0.002% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  26.05 +/- 1.69   0.001% *  0.0794% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  26.31 +/- 1.43   0.001% *  0.0601% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 5.54:
          HA    SER  117 - HN    ALA  120   3.60 +/- 0.25  99.838% * 95.2241% (0.92   0.75   5.54) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.48 +/- 1.32   0.132% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  14.66 +/- 1.06   0.028% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  27.33 +/- 0.91   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.19 +/- 1.29   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 = 4.05, residual support = 123.7:
      O   HG3   GLN  116 - HE21  GLN  116   3.58 +/- 0.29  99.991% * 99.8198% (0.69  10.0   4.05 123.66) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  17.74 +/- 1.06   0.008% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  25.33 +/- 1.85   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.04 +/- 2.64   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.557, support = 2.96, residual support = 72.3:
          HG    LEU  115 - HE21  GLN  116   6.17 +/- 1.69  23.637% * 24.4268% (0.41   3.56 102.24) =  43.257%  kept
          QB    ALA  120 - HE21  GLN  116   4.65 +/- 1.43  68.895% *  5.6868% (0.41   0.83   0.28) =  29.353%  kept
          HB3   LEU  115 - HE21  GLN  116   7.35 +/- 1.25   5.374% * 67.9719% (0.95   4.31 102.24) =  27.365%  kept
          QG    LYS+  66 - HE21  GLN  116   9.81 +/- 2.17   0.866% *  0.2292% (0.69   0.02   0.02) =   0.015%
          QB    ALA   61 - HE21  GLN  116  11.32 +/- 1.52   0.425% *  0.1138% (0.34   0.02   0.02) =   0.004%
          QB    ALA  110 - HE21  GLN  116  10.79 +/- 1.83   0.588% *  0.0584% (0.18   0.02   0.02) =   0.003%
          HG    LEU   67 - HE21  GLN  116  14.53 +/- 3.12   0.094% *  0.2895% (0.87   0.02   0.02) =   0.002%
          HG    LEU   40 - HE21  GLN  116  16.75 +/- 2.12   0.031% *  0.3157% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  14.88 +/- 2.26   0.054% *  0.1624% (0.49   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  20.57 +/- 1.55   0.008% *  0.2895% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  17.32 +/- 2.07   0.022% *  0.0743% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  23.20 +/- 2.54   0.005% *  0.3157% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  29.14 +/- 2.86   0.001% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.378, support = 1.01, residual support = 0.422:
          HB    ILE  119 - HN    SER  117   5.05 +/- 0.44  40.093% * 49.8197% (0.20   1.56   0.61) =  56.515%  kept
          QB    GLU- 114 - HN    SER  117   4.80 +/- 0.20  52.495% * 28.8255% (0.61   0.29   0.18) =  42.814%  kept
          HB2   LYS+ 111 - HN    SER  117   6.92 +/- 1.05   7.297% *  3.2178% (1.00   0.02   0.02) =   0.664%  kept
          HB3   PRO   68 - HN    SER  117  19.19 +/- 2.67   0.031% *  2.6937% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    SER  117  18.23 +/- 2.90   0.056% *  1.4458% (0.45   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    SER  117  21.64 +/- 1.07   0.007% *  3.2178% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  22.86 +/- 1.08   0.005% *  3.2178% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.54 +/- 0.97   0.006% *  1.6967% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.11 +/- 1.42   0.005% *  0.8041% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.18 +/- 1.25   0.002% *  1.4458% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  30.39 +/- 1.31   0.001% *  2.9770% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.60 +/- 1.08   0.003% *  0.6382% (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 = 0.862, support = 2.4, residual support = 3.0:
          HG    LEU  115 - HN    SER  117   5.19 +/- 0.79  37.994% * 34.4281% (0.84   2.53   2.16) =  44.416%  kept
          HB3   LEU  115 - HN    SER  117   5.70 +/- 0.31  19.235% * 46.8732% (0.92   3.12   2.16) =  30.616%  kept
          QB    ALA  120 - HN    SER  117   5.01 +/- 0.54  42.230% * 17.4096% (0.84   1.28   5.54) =  24.965%  kept
          QG    LYS+  66 - HN    SER  117  12.17 +/- 2.39   0.347% *  0.0906% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.83 +/- 2.52   0.057% *  0.3194% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  15.74 +/- 1.33   0.046% *  0.3008% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  16.79 +/- 1.14   0.029% *  0.1976% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  20.45 +/- 2.31   0.013% *  0.1845% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  15.99 +/- 1.17   0.037% *  0.0503% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  19.80 +/- 1.21   0.012% *  0.1461% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 2.89, residual support = 17.1:
          HB2   PHE   97 - HN    LEU  104   3.01 +/- 0.82  94.796% * 80.9536% (1.00   2.90  17.29) =  99.185%  kept
          QE    LYS+ 106 - HN    LEU  104   6.46 +/- 1.13   3.509% * 17.8678% (0.76   0.84   0.02) =   0.810%  kept
          QE    LYS+  99 - HN    LEU  104   6.86 +/- 0.71   1.648% *  0.2099% (0.38   0.02  17.08) =   0.004%
          HB3   TRP   27 - HN    LEU  104  15.49 +/- 1.10   0.011% *  0.5542% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.71 +/- 1.14   0.011% *  0.3166% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.18 +/- 1.48   0.026% *  0.0979% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.939, support = 5.48, residual support = 35.0:
          HG12  ILE  103 - HN    LEU  104   4.44 +/- 0.36  74.038% * 83.4514% (0.97   5.68  36.96) =  94.665%  kept
          QB    LYS+ 102 - HN    LEU  104   5.48 +/- 0.27  23.084% * 15.0504% (0.49   2.03   0.11) =   5.323%  kept
          HB    VAL   41 - HN    LEU  104   8.59 +/- 1.25   2.296% *  0.3047% (1.00   0.02   0.02) =   0.011%
          HB2   LEU   71 - HN    LEU  104  12.17 +/- 1.55   0.342% *  0.1039% (0.34   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU  104  14.25 +/- 1.90   0.093% *  0.2882% (0.95   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  14.71 +/- 2.40   0.095% *  0.2329% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.46 +/- 0.78   0.021% *  0.2213% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.16 +/- 0.98   0.024% *  0.1144% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.21 +/- 1.19   0.007% *  0.2329% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.62, residual support = 27.1:
          QB    LEU   98 - HN    ILE  103   5.09 +/- 1.06  98.005% * 87.9444% (0.61   1.62  27.12) =  99.966%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.28 +/- 2.66   1.523% *  1.6030% (0.90   0.02   0.02) =   0.028%
          QB    ALA  110 - HN    ILE  103  17.68 +/- 0.94   0.083% *  1.4313% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  103  17.06 +/- 1.30   0.119% *  0.7348% (0.41   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE  103  20.33 +/- 1.61   0.055% *  1.5505% (0.87   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  103  20.44 +/- 0.94   0.037% *  1.5505% (0.87   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  103  23.00 +/- 4.12   0.030% *  1.7521% (0.98   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ILE  103  19.67 +/- 0.74   0.047% *  1.0120% (0.57   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE  103  23.54 +/- 5.08   0.031% *  1.3660% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.12 +/- 2.32   0.057% *  0.4457% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  25.16 +/- 1.16   0.012% *  0.6097% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 9 structures by 0.91 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.777, support = 5.12, residual support = 33.8:
          QD2   LEU  104 - HN    ILE  103   4.37 +/- 0.78  31.998% * 80.8806% (1.00   5.60  36.96) =  67.780%  kept
          QD1   LEU   98 - HN    ILE  103   3.59 +/- 0.72  67.136% * 18.3237% (0.31   4.11  27.12) =  32.218%  kept
          QG1   VAL   41 - HN    ILE  103   8.33 +/- 1.20   0.540% *  0.0571% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ILE  103   8.94 +/- 0.90   0.309% *  0.0985% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  16.83 +/- 0.98   0.007% *  0.2785% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.95 +/- 0.89   0.006% *  0.1634% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  18.50 +/- 1.01   0.004% *  0.1983% (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 = 6.86, residual support = 220.6:
          QD1   LEU  104 - HN    LEU  104   3.90 +/- 0.47  96.005% * 97.1148% (0.41   6.86 220.68) =  99.985%  kept
          QD2   LEU   63 - HN    LEU  104   9.05 +/- 0.97   0.894% *  0.5003% (0.73   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    LEU  104   9.66 +/- 1.22   0.605% *  0.6649% (0.97   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LEU  104   7.86 +/- 0.69   2.033% *  0.1363% (0.20   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU  104  10.66 +/- 0.93   0.319% *  0.6649% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.38 +/- 0.91   0.123% *  0.4732% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  18.80 +/- 4.50   0.022% *  0.4457% (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 = 0.364, support = 5.41, residual support = 31.8:
          QD2   LEU  104 - HN    ASP- 105   4.26 +/- 0.41  83.556% * 37.5598% (0.18   6.51  40.93) =  75.520%  kept
          QD1   LEU   98 - HN    ASP- 105   5.77 +/- 0.71  16.390% * 62.0674% (0.95   1.99   3.78) =  24.479%  kept
          QG2   ILE   19 - HN    ASP- 105  14.92 +/- 0.89   0.054% *  0.3728% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 135.8:
          HG3   LYS+ 106 - HN    LYS+ 106   3.01 +/- 0.51  96.793% * 95.5355% (0.90   4.02 135.77) =  99.995%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.23 +/- 2.40   2.289% *  0.0928% (0.18   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+ 106  10.84 +/- 1.17   0.212% *  0.5286% (1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.40 +/- 0.80   0.263% *  0.2178% (0.41   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+ 106   9.73 +/- 1.36   0.287% *  0.1179% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.86 +/- 1.29   0.026% *  0.5251% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.32 +/- 1.55   0.016% *  0.5286% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.33 +/- 0.80   0.038% *  0.1807% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.22 +/- 1.04   0.012% *  0.5113% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  12.59 +/- 1.91   0.052% *  0.0817% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.47 +/- 1.21   0.002% *  0.5286% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.79 +/- 1.28   0.001% *  0.5193% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  18.39 +/- 1.61   0.004% *  0.1635% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.63 +/- 0.78   0.003% *  0.1048% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.58 +/- 1.18   0.000% *  0.3639% (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   4.29 +/- 0.54  98.882% * 97.0497% (0.53   2.85  26.83) =  99.991%  kept
          HG    LEU   63 - HN    LYS+ 106  11.19 +/- 1.12   0.761% *  0.9400% (0.73   0.02   0.02) =   0.007%
          QG2   VAL   24 - HN    LYS+ 106  15.99 +/- 1.53   0.052% *  1.1228% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    LYS+ 106  14.35 +/- 1.45   0.145% *  0.3995% (0.31   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    LYS+ 106  15.42 +/- 1.84   0.077% *  0.2882% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  14.95 +/- 1.03   0.083% *  0.1997% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 1 structures by 0.09 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   3.58 +/- 0.06  99.727% * 99.4338% (0.98   4.52  62.12) =  99.999%  kept
          HB3   LEU   63 - HN    VAL  108  12.97 +/- 2.00   0.150% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    VAL  108  12.02 +/- 1.19   0.101% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.55 +/- 1.90   0.022% *  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 = 2.99, residual support = 7.83:
          QG2   ILE   89 - HN    ALA   91   3.69 +/- 0.22  98.142% * 99.4085% (1.00   2.99   7.83) =  99.998%  kept
          QG1   VAL   83 - HN    ALA   91  10.03 +/- 1.10   0.312% *  0.3504% (0.53   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    TRP   27   8.46 +/- 1.83   1.449% *  0.0433% (0.07   0.02   0.66) =   0.001%
          QG2   ILE   89 - HN    TRP   27  12.35 +/- 1.27   0.080% *  0.0823% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  20.80 +/- 0.90   0.003% *  0.1028% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.49 +/- 0.95   0.014% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.445, support = 5.27, residual support = 39.3:
          HG3   LYS+  99 - HN    GLU- 100   4.02 +/- 0.37  50.835% * 94.9526% (0.45   5.30  39.58) =  99.364%  kept
          QB    ALA   34 - HN    GLU- 100   4.60 +/- 1.17  35.836% *  0.5804% (0.73   0.02   0.02) =   0.428%
          QG2   THR   39 - HN    GLU- 100   5.95 +/- 1.01   8.695% *  0.7561% (0.95   0.02   0.02) =   0.135%
          HG3   LYS+  38 - HN    GLU- 100   7.06 +/- 1.83   4.357% *  0.7922% (0.99   0.02   0.02) =   0.071%
          HG    LEU   71 - HN    GLU- 100  10.07 +/- 0.86   0.233% *  0.3000% (0.38   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    GLU- 100  14.60 +/- 1.26   0.025% *  0.5171% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  18.72 +/- 1.47   0.006% *  0.7168% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  17.55 +/- 1.17   0.008% *  0.3000% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.75 +/- 1.58   0.002% *  0.7561% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  18.89 +/- 1.06   0.005% *  0.3286% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 5.02:
          QB    ALA   84 - HN    LYS+  81   4.33 +/- 0.13  99.836% * 70.7750% (0.57   0.75   5.02) =  99.995%  kept
          HB3   LEU   73 - HN    LYS+  81  16.18 +/- 2.16   0.051% *  3.0773% (0.92   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LYS+  81  18.25 +/- 1.09   0.020% *  2.0219% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  16.34 +/- 1.68   0.043% *  0.7422% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  81  21.55 +/- 1.69   0.007% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  24.21 +/- 2.69   0.004% *  3.3336% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  24.28 +/- 3.64   0.005% *  2.6693% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  22.33 +/- 3.56   0.008% *  1.4946% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  20.39 +/- 2.80   0.013% *  0.6597% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  26.07 +/- 1.37   0.002% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  28.07 +/- 1.94   0.002% *  3.2676% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  29.61 +/- 3.76   0.001% *  3.1535% (0.95   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  27.20 +/- 2.52   0.002% *  1.3705% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  23.36 +/- 1.74   0.005% *  0.5144% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  30.46 +/- 1.72   0.001% *  1.1371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.77, residual support = 211.0:
          QD1   ILE   89 - HN    ILE   89   3.61 +/- 0.39  83.829% * 92.1758% (0.92   5.85 214.37) =  98.438%  kept
          QG2   VAL   83 - HN    ILE   89   4.99 +/- 0.64  16.155% *  7.5898% (1.00   0.45   0.02) =   1.562%  kept
          QD2   LEU   31 - HN    ILE   89  15.90 +/- 1.77   0.016% *  0.2344% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.387, support = 3.49, residual support = 9.35:
          QB    ALA   88 - HN    ILE   89   3.75 +/- 0.03  43.681% * 59.4320% (0.34   4.58   7.05) =  57.271%  kept
          QB    ALA   84 - HN    ILE   89   3.60 +/- 0.31  55.993% * 34.5873% (0.45   2.03  12.43) =  42.724%  kept
          HB3   LEU   80 - HN    ILE   89   8.81 +/- 0.91   0.285% *  0.7450% (0.98   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HN    ILE   89  14.87 +/- 0.48   0.011% *  0.6349% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  13.92 +/- 0.59   0.017% *  0.3125% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  18.12 +/- 2.54   0.005% *  0.7450% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  20.87 +/- 2.23   0.002% *  0.7584% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  19.62 +/- 2.73   0.003% *  0.4303% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  21.42 +/- 1.17   0.001% *  0.7017% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  27.45 +/- 1.76   0.000% *  0.6086% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  27.31 +/- 1.38   0.000% *  0.5221% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  30.65 +/- 1.80   0.000% *  0.5221% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.698, support = 3.73, residual support = 34.0:
          QB    ALA   91 - HN    GLN   90   4.12 +/- 0.74  65.636% * 61.1820% (0.84   3.04  32.55) =  76.651%  kept
          HG12  ILE   89 - HN    GLN   90   4.83 +/- 0.34  34.027% * 35.9476% (0.25   5.99  38.58) =  23.348%  kept
          QG2   ILE   56 - HN    GLN   90  11.20 +/- 1.10   0.222% *  0.1807% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    GLN   90  14.25 +/- 1.13   0.045% *  0.4443% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  15.77 +/- 1.90   0.058% *  0.0953% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  22.82 +/- 0.99   0.002% *  0.4021% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  23.68 +/- 1.30   0.002% *  0.4813% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  25.03 +/- 1.42   0.001% *  0.4317% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  20.57 +/- 0.89   0.005% *  0.1072% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  27.86 +/- 1.28   0.001% *  0.4553% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  31.62 +/- 1.96   0.000% *  0.2725% (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 = 95.3:
      O   QG    GLN   90 - HE21  GLN   90   2.23 +/- 0.15  99.965% * 98.4545% (0.34  10.0   3.03  95.31) = 100.000%  kept
          HG3   MET   92 - HE21  GLN   90  10.62 +/- 2.22   0.031% *  0.2886% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HE21  GLN   90  13.67 +/- 1.76   0.003% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.51 +/- 1.12   0.000% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  24.65 +/- 1.79   0.000% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  24.94 +/- 1.11   0.000% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  26.20 +/- 2.25   0.000% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.23 +/- 1.47   0.000% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  34.06 +/- 1.73   0.000% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  30.71 +/- 1.74   0.000% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  29.05 +/- 1.67   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 = 5.58, residual support = 95.3:
      O   HB2   GLN   90 - HN    GLN   90   3.46 +/- 0.65  99.907% * 99.4917% (0.73  10.0   5.58  95.31) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.49 +/- 1.27   0.089% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  24.83 +/- 1.69   0.001% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  23.79 +/- 1.72   0.002% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  28.11 +/- 0.98   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.80 +/- 1.30   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  31.40 +/- 1.91   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 = 0.849, support = 5.31, residual support = 38.2:
          QD2   LEU   73 - HN    PHE   72   3.94 +/- 0.80  70.155% * 89.2352% (0.87   5.45  39.35) =  96.533%  kept
          QG2   VAL   18 - HN    PHE   72   5.13 +/- 0.77  23.295% *  9.5749% (0.34   1.49   6.99) =   3.439%  kept
          QG1   VAL   41 - HN    PHE   72   6.70 +/- 1.08   4.882% *  0.2885% (0.76   0.02   0.02) =   0.022%
          QG1   VAL   43 - HN    PHE   72   7.70 +/- 0.64   1.304% *  0.2138% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  10.87 +/- 0.78   0.205% *  0.3644% (0.97   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    PHE   72  13.43 +/- 1.15   0.047% *  0.2290% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    PHE   72  11.76 +/- 0.71   0.112% *  0.0941% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 39.4:
          QB    ALA   64 - HN    PHE   72   5.07 +/- 0.78  99.860% * 99.8643% (1.00   2.58  39.44) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.09 +/- 0.33   0.140% *  0.1357% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 4 structures by 0.64 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.31:
          HB    ILE   19 - HN    LYS+  74   5.22 +/- 0.71  94.381% * 95.9635% (0.71   2.61   8.32) =  99.971%  kept
          HB2   GLN   17 - HN    LYS+  74   9.32 +/- 0.40   3.614% *  0.4465% (0.43   0.02   0.02) =   0.018%
          HB3   GLU-  25 - HN    LYS+  74  11.99 +/- 0.57   0.929% *  0.5894% (0.57   0.02   0.02) =   0.006%
          QB    GLU-  15 - HN    LYS+  74  12.46 +/- 0.59   0.617% *  0.4465% (0.43   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    LYS+  74  16.99 +/- 0.71   0.096% *  0.7215% (0.69   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LYS+  74  18.49 +/- 1.30   0.063% *  0.7345% (0.71   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+  74  16.81 +/- 1.48   0.127% *  0.1835% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  18.27 +/- 1.02   0.068% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.88 +/- 1.07   0.073% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.15 +/- 1.56   0.031% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 9 structures by 0.71 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.39, residual support = 40.7:
          QD1   LEU   73 - HN    LYS+  74   4.63 +/- 0.24  91.866% * 97.1061% (0.37   5.39  40.74) =  99.952%  kept
          QD2   LEU   80 - HN    LYS+  74   9.34 +/- 2.91   5.128% *  0.6139% (0.64   0.02   0.02) =   0.035%
          QG1   VAL   83 - HN    LYS+  74  10.12 +/- 1.21   1.038% *  0.5231% (0.54   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LYS+  74  10.06 +/- 1.45   1.186% *  0.3601% (0.37   0.02   0.02) =   0.005%
          QG2   ILE   89 - HN    LYS+  74  11.17 +/- 0.96   0.587% *  0.1199% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.74 +/- 0.99   0.095% *  0.6830% (0.71   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  74  14.82 +/- 1.51   0.099% *  0.5938% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 4.53, residual support = 27.4:
          QG2   THR   77 - HN    ASP-  78   3.90 +/- 0.50  74.928% * 76.7998% (0.34   4.58  27.68) =  98.868%  kept
          QB    ALA   84 - HN    ASP-  78   5.07 +/- 0.69  22.673% *  1.5508% (0.15   0.20   0.02) =   0.604%  kept
          HB3   LEU   80 - HN    ASP-  78   7.41 +/- 0.62   1.931% * 15.7675% (0.69   0.47   4.81) =   0.523%  kept
          QB    ALA   88 - HN    ASP-  78  10.35 +/- 0.62   0.252% *  0.7137% (0.73   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    ASP-  78  11.08 +/- 0.95   0.189% *  0.4407% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ASP-  78  17.97 +/- 1.07   0.009% *  0.5565% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  20.06 +/- 1.58   0.005% *  0.8815% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  78  19.99 +/- 1.18   0.005% *  0.8210% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.89 +/- 1.71   0.006% *  0.2188% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.66 +/- 0.73   0.001% *  0.9829% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.98 +/- 1.88   0.001% *  0.9634% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.34 +/- 0.85   0.001% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   6.48 +/- 1.35  97.530% * 32.6601% (0.92   0.02   0.02) =  97.388%  kept
          QG1   VAL   42 - HN    ASP-  78  13.51 +/- 0.40   2.349% * 34.6797% (0.98   0.02   0.02) =   2.491%  kept
          HG2   LYS+ 112 - HN    ASP-  78  20.93 +/- 1.98   0.121% * 32.6601% (0.92   0.02   0.02) =   0.121%
    Distance limit 4.53 A violated in 18 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.596, support = 4.29, residual support = 23.9:
          HB    THR   77 - HN    ASP-  78   3.90 +/- 0.20  78.095% * 37.2495% (0.45   4.58  27.68) =  68.944%  kept
          HA    GLU-  79 - HN    ASP-  78   4.88 +/- 0.23  21.472% * 61.0219% (0.92   3.65  15.47) =  31.054%  kept
          HA    SER   85 - HN    ASP-  78  10.77 +/- 0.53   0.188% *  0.1626% (0.45   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  13.11 +/- 1.51   0.065% *  0.3619% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.50 +/- 0.46   0.126% *  0.1361% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  13.86 +/- 1.43   0.049% *  0.3253% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  22.40 +/- 1.14   0.002% *  0.2054% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  26.11 +/- 0.52   0.001% *  0.3500% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.06 +/- 1.01   0.001% *  0.0635% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  34.16 +/- 1.81   0.000% *  0.1237% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 37.5:
      O   HA    ASP-  78 - HN    ASP-  78   2.83 +/- 0.03  99.328% * 99.8154% (1.00  10.0   4.57  37.48) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   6.89 +/- 0.23   0.486% *  0.0486% (0.49   1.0   0.02   4.81) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.13 +/- 1.01   0.109% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78   9.98 +/- 1.46   0.076% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.88 +/- 1.02   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.992, support = 7.94, residual support = 206.7:
      O   HA    ILE  119 - HN    ILE  119   2.86 +/- 0.02  73.520% * 50.7779% (1.00  10.0   8.75 257.46) =  76.652%  kept
      O   HA    THR  118 - HN    ILE  119   3.47 +/- 0.09  23.204% * 49.0042% (0.97  10.0   5.28  40.21) =  23.348%  kept
          HA    VAL   75 - HN    CYS   21   5.25 +/- 0.75   3.257% *  0.0028% (0.06   1.0   0.02   2.43) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.38 +/- 1.44   0.013% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  15.49 +/- 1.32   0.003% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.88 +/- 1.60   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.62 +/- 0.86   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  23.97 +/- 1.43   0.000% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.48 +/- 1.24   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  21.32 +/- 2.19   0.001% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.12 +/- 1.16   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  20.09 +/- 0.94   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.718, support = 5.46, residual support = 31.8:
          HB2   CYS   53 - HN    ARG+  54   3.17 +/- 0.19  92.013% * 83.6589% (0.72   5.49  32.12) =  98.960%  kept
          HD3   PRO   52 - HN    ARG+  54   5.14 +/- 0.10   5.399% * 14.8590% (0.26   2.68   1.76) =   1.031%  kept
          HD2   PRO   58 - HN    ARG+  54   6.48 +/- 0.51   1.510% *  0.3681% (0.87   0.02   0.02) =   0.007%
          HD2   PRO   58 - HN    ASP-  62   6.82 +/- 0.31   1.012% *  0.0689% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.43 +/- 0.95   0.056% *  0.0570% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  19.59 +/- 1.28   0.002% *  0.3459% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.62 +/- 0.66   0.005% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.16 +/- 1.58   0.001% *  0.0623% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.25 +/- 1.18   0.000% *  0.3330% (0.79   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  23.51 +/- 1.06   0.001% *  0.0647% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  26.56 +/- 1.01   0.000% *  0.1360% (0.32   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  21.22 +/- 0.90   0.001% *  0.0254% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.942, support = 0.747, residual support = 2.16:
          QG2   VAL   18 - HN    ALA   61   6.13 +/- 0.94  83.623% * 89.1564% (0.95   0.75   2.17) =  99.592%  kept
          QG2   THR   46 - HN    ALA   61   9.16 +/- 0.84   9.622% *  2.1801% (0.87   0.02   0.02) =   0.280%
          QG1   VAL   43 - HN    ALA   61  12.08 +/- 0.79   1.916% *  2.5077% (1.00   0.02   0.02) =   0.064%
          QD2   LEU   73 - HN    ALA   61  11.13 +/- 0.87   3.052% *  0.6267% (0.25   0.02   0.02) =   0.026%
          QG1   VAL   41 - HN    ALA   61  14.52 +/- 0.83   0.600% *  2.3201% (0.92   0.02   0.02) =   0.019%
          QD1   ILE   19 - HN    ALA   61  13.40 +/- 1.31   0.814% *  1.3223% (0.53   0.02   0.02) =   0.014%
          QD2   LEU  104 - HN    ALA   61  16.50 +/- 0.98   0.274% *  0.9433% (0.38   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    ALA   61  19.56 +/- 1.01   0.097% *  0.9433% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 14 structures by 1.55 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 52.0:
          QB    GLU-  36 - HN    ASN   35   4.15 +/- 0.14  91.137% * 98.3837% (0.92   4.96  52.00) =  99.985%  kept
          HB2   LYS+  38 - HN    ASN   35   6.95 +/- 0.90   7.895% *  0.1195% (0.28   0.02   0.02) =   0.011%
          HB3   GLU-  29 - HN    ASN   35   9.47 +/- 0.64   0.705% *  0.4261% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.25 +/- 0.76   0.259% *  0.3122% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  22.39 +/- 2.03   0.004% *  0.3729% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  29.65 +/- 1.09   0.001% *  0.3855% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 44.6:
      O   QB    MET   11 - HN    MET   11   2.97 +/- 0.46  99.765% * 99.3665% (0.69  10.0   3.00  44.64) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11   9.42 +/- 1.27   0.208% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.91 +/- 0.89   0.024% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  19.95 +/- 3.01   0.002% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  31.56 +/- 2.45   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  35.44 +/- 1.58   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.96 +/- 1.70   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  30.15 +/- 3.26   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  40.11 +/- 2.39   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  40.65 +/- 2.12   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.6:
          HG2   MET   11 - HN    MET   11   4.12 +/- 0.56  99.430% * 97.3782% (0.92   3.31  44.64) =  99.997%  kept
          HB2   GLU-  14 - HN    MET   11  11.09 +/- 1.68   0.538% *  0.6025% (0.95   0.02   0.02) =   0.003%
          HB2   PRO   68 - HN    MET   11  19.41 +/- 3.32   0.018% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  20.61 +/- 2.77   0.012% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  34.48 +/- 1.53   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  30.88 +/- 2.40   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  40.96 +/- 2.81   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  35.52 +/- 1.98   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.6:
          HG3   MET   11 - HN    MET   11   3.15 +/- 0.48  99.932% * 98.0255% (0.92   3.31  44.64) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.83 +/- 1.04   0.064% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  22.32 +/- 2.24   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  22.50 +/- 2.60   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.79 +/- 1.77   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  32.78 +/- 1.70   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  31.73 +/- 1.76   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.38 +/- 2.19   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  18.90 +/- 2.87  76.612% * 22.9200% (1.00   0.02   0.02) =  86.348%  kept
          HD3   LYS+  74 - HN    MET   11  27.28 +/- 1.95   9.736% * 12.0587% (0.53   0.02   0.02) =   5.774%  kept
          HG    LEU  104 - HN    MET   11  29.98 +/- 1.65   5.404% *  8.6021% (0.38   0.02   0.02) =   2.286%  kept
          QG    LYS+  81 - HN    MET   11  34.43 +/- 2.69   2.323% * 19.1444% (0.84   0.02   0.02) =   2.187%  kept
          HG2   LYS+ 106 - HN    MET   11  36.23 +/- 2.21   1.774% * 17.5161% (0.76   0.02   0.02) =   1.528%  kept
          HB3   LYS+ 121 - HN    MET   11  33.13 +/- 2.06   3.183% *  8.6021% (0.38   0.02   0.02) =   1.347%  kept
          HB3   LYS+ 111 - HN    MET   11  40.33 +/- 2.22   0.968% * 11.1564% (0.49   0.02   0.02) =   0.531%  kept
    Distance limit 4.31 A violated in 20 structures by 13.67 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.61, residual support = 12.0:
          HG2   MET   11 - HN    ALA   12   4.20 +/- 0.17  97.689% * 97.8531% (0.72   3.61  11.95) =  99.987%  kept
          HB2   GLU-  14 - HN    ALA   12   8.46 +/- 1.21   2.251% *  0.5413% (0.72   0.02   0.02) =   0.013%
          HB2   PRO   68 - HN    ALA   12  16.40 +/- 3.15   0.058% *  0.1508% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  31.40 +/- 1.57   0.001% *  0.5317% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  32.55 +/- 1.72   0.000% *  0.2230% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  38.03 +/- 2.62   0.000% *  0.5317% (0.71   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  35.15 +/- 2.01   0.000% *  0.0950% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.48 +/- 2.58   0.000% *  0.0734% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.91 +/- 0.05  99.992% * 99.1918% (0.68  10.0   2.29  12.50) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  17.21 +/- 2.78   0.005% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  21.03 +/- 2.22   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  22.26 +/- 1.56   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.63 +/- 1.31   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.01 +/- 1.84   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  22.60 +/- 1.44   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.56 +/- 2.31   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.38 +/- 3.27   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  32.45 +/- 2.22   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  31.60 +/- 2.22   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.87 +/- 1.68   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  32.37 +/- 1.70   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.19:
          QB    ALA   12 - HN    SER   13   2.70 +/- 0.38  99.987% * 91.5358% (0.95   1.76   5.19) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  15.66 +/- 2.28   0.005% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  17.52 +/- 2.19   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  19.18 +/- 1.47   0.001% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  19.52 +/- 0.97   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.83 +/- 1.33   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  19.20 +/- 1.42   0.001% *  0.4924% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  28.76 +/- 1.61   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  27.65 +/- 3.09   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  29.64 +/- 1.98   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  28.56 +/- 2.29   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  34.51 +/- 1.69   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.86 +/- 1.65   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   3.79 +/- 0.41  99.810% * 95.6028% (0.45   2.48   6.72) =  99.998%  kept
          HB3   SER   37 - HN    GLU-  14  12.70 +/- 1.66   0.089% *  0.9936% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.57 +/- 1.46   0.099% *  0.8171% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  26.36 +/- 1.69   0.001% *  1.1870% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  31.80 +/- 1.65   0.000% *  0.9936% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  29.67 +/- 2.47   0.001% *  0.4058% (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 = 0.532, support = 3.88, residual support = 46.8:
          QG    GLU-  14 - HN    GLU-  14   2.76 +/- 0.47  96.794% * 71.4899% (0.53   3.90  47.26) =  99.083%  kept
          QG    GLU-  15 - HN    GLU-  14   5.39 +/- 0.53   2.461% * 26.0032% (0.42   1.79   0.61) =   0.916%  kept
          QB    MET   11 - HN    GLU-  14   8.09 +/- 0.73   0.726% *  0.0949% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  13.29 +/- 1.33   0.015% *  0.4004% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  17.34 +/- 1.90   0.002% *  0.3481% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  19.02 +/- 1.43   0.001% *  0.3481% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  24.34 +/- 1.46   0.000% *  0.4752% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  30.30 +/- 1.36   0.000% *  0.4299% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  26.04 +/- 1.67   0.000% *  0.1195% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.21 +/- 2.21   0.000% *  0.2908% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.76, residual support = 47.3:
      O   HB2   GLU-  14 - HN    GLU-  14   2.62 +/- 0.50  99.922% * 99.6047% (0.70  10.0   3.76  47.26) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.77 +/- 0.96   0.052% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  12.40 +/- 3.01   0.026% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  26.00 +/- 1.48   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.60 +/- 1.74   0.000% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  32.21 +/- 2.73   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.77 +/- 2.62   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.61 +/- 1.84   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.76, residual support = 47.3:
      O   HB3   GLU-  14 - HN    GLU-  14   3.39 +/- 0.33  99.687% * 99.6986% (0.62  10.0   3.76  47.26) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.54 +/- 0.98   0.302% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.32 +/- 1.43   0.010% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  23.24 +/- 1.48   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.79 +/- 1.95   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   2.77 +/- 0.56  99.491% * 98.8146% (1.00   5.50  84.56) =  99.998%  kept
          HB    VAL   70 - HN    GLN   17   7.96 +/- 0.60   0.413% *  0.3527% (0.98   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLN   17  16.23 +/- 3.26   0.086% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLN   17  16.36 +/- 0.81   0.004% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.52 +/- 0.45   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  17.97 +/- 1.38   0.002% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.48 +/- 0.87   0.003% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.03, residual support = 81.1:
      O   HB2   GLN   17 - HN    GLN   17   3.80 +/- 0.15  63.135% * 91.6381% (0.92  10.0   5.17  84.56) =  95.899%  kept
          QB    GLU-  15 - HN    GLN   17   4.29 +/- 0.27  31.426% *  7.8608% (0.92   1.0   1.72   0.02) =   4.095%  kept
          HB    ILE   19 - HN    GLN   17   6.63 +/- 0.67   2.707% *  0.0795% (0.80   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    GLN   17   9.00 +/- 2.78   2.315% *  0.0562% (0.57   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLN   17  10.02 +/- 1.78   0.346% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  12.21 +/- 1.12   0.065% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.25 +/- 0.49   0.003% *  0.0990% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.20 +/- 1.28   0.002% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.52 +/- 1.90   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.6:
      O   HB3   GLN   17 - HN    GLN   17   3.00 +/- 0.33  99.147% * 99.6298% (0.98  10.0   5.17  84.56) =  99.999%  kept
          HB2   LEU   71 - HN    GLN   17   8.62 +/- 1.24   0.368% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    GLN   17   8.45 +/- 1.49   0.343% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17  10.06 +/- 1.26   0.127% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.33 +/- 0.66   0.007% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.42 +/- 1.17   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.40 +/- 1.07   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.76 +/- 1.91   0.001% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.93 +/- 0.89   0.000% *  0.0347% (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 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.95, residual support = 6.15:
          QB    GLU-  15 - HN    GLY   16   2.41 +/- 0.39  97.401% * 39.2147% (0.98   1.94   6.05) =  99.043%  kept
          HB2   GLN   17 - HN    GLY   16   6.11 +/- 0.25   0.620% * 58.5960% (0.98   2.90  16.52) =   0.942%  kept
          HB3   PRO   68 - HN    GLY   16   7.54 +/- 2.75   1.665% *  0.3233% (0.78   0.02   0.02) =   0.014%
          HB    ILE   19 - HN    GLY   16   7.83 +/- 0.72   0.160% *  0.2286% (0.55   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLY   16   8.55 +/- 2.04   0.131% *  0.1966% (0.47   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  12.75 +/- 1.36   0.007% *  0.1660% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.68 +/- 1.63   0.014% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  21.47 +/- 0.81   0.000% *  0.3820% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  17.65 +/- 1.61   0.001% *  0.0899% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.50 +/- 1.43   0.000% *  0.2612% (0.63   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.08 +/- 1.98   0.000% *  0.4002% (0.97   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  17.95 +/- 1.27   0.001% *  0.0707% (0.17   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   3.89 +/- 0.47  99.417% * 98.7513% (0.70   5.81  50.08) =  99.998%  kept
          HB    VAL   70 - HN    VAL   18   9.73 +/- 0.81   0.502% *  0.3028% (0.62   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    VAL   18  18.96 +/- 2.88   0.021% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  18.06 +/- 0.36   0.011% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.02 +/- 0.95   0.036% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.11 +/- 1.14   0.012% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 77.4:
      O   HB    VAL   18 - HN    VAL   18   2.37 +/- 0.36  99.517% * 99.4605% (0.70  10.0   4.99  77.43) = 100.000%  kept
          HB2   LEU   67 - HN    VAL   18   8.67 +/- 1.36   0.119% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    VAL   18   6.45 +/- 0.34   0.350% *  0.0305% (0.21   1.0   0.02  22.63) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.46 +/- 1.32   0.010% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  15.73 +/- 1.10   0.002% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.96 +/- 1.02   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.32 +/- 1.52   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.48 +/- 1.25   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   3.85 +/- 0.04  97.071% * 93.7825% (0.33   5.47  50.08) =  99.972%  kept
          QB    LYS+  65 - HN    VAL   18   7.94 +/- 1.25   2.104% *  0.9011% (0.87   0.02   0.02) =   0.021%
          HB2   LEU   71 - HN    VAL   18  10.01 +/- 0.92   0.369% *  0.8716% (0.84   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   18  10.26 +/- 1.02   0.322% *  0.8392% (0.81   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    VAL   18  13.43 +/- 1.20   0.068% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.43 +/- 2.12   0.028% *  0.9959% (0.96   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  16.99 +/- 2.34   0.019% *  0.2505% (0.24   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.14 +/- 0.70   0.005% *  0.9697% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.56 +/- 1.18   0.006% *  0.4891% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.05 +/- 1.88   0.006% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.28, residual support = 77.4:
          QG2   VAL   18 - HN    VAL   18   2.39 +/- 0.60  98.572% * 98.3022% (0.91   5.28  77.43) =  99.997%  kept
          QD1   ILE   19 - HN    VAL   18   6.73 +/- 0.98   1.008% *  0.2070% (0.51   0.02  22.63) =   0.002%
          QD2   LEU   73 - HN    VAL   18   7.38 +/- 0.65   0.320% *  0.0981% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18  10.18 +/- 1.03   0.043% *  0.3414% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  11.48 +/- 1.47   0.033% *  0.3633% (0.89   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  10.99 +/- 0.73   0.019% *  0.3926% (0.96   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.67 +/- 0.92   0.003% *  0.1477% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  16.72 +/- 1.21   0.002% *  0.1477% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.59:
          QB    ALA   64 - HN    VAL   18   3.72 +/- 0.84  99.956% * 99.8615% (0.84   2.25   8.59) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  14.41 +/- 1.45   0.044% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 2 structures by 0.15 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.436, support = 4.21, residual support = 20.2:
          HN    PHE   59 - HN    PHE   60   2.74 +/- 0.14  90.447% * 64.0317% (0.44   4.25  20.40) =  97.656%  kept
          QE    PHE   59 - HN    THR  118   4.55 +/- 0.78   6.968% * 14.9270% (0.16   2.74  10.45) =   1.754%  kept
          QE    PHE   59 - HN    PHE   60   5.69 +/- 0.91   1.962% * 17.8025% (0.28   1.84  20.40) =   0.589%  kept
          HN    HIS  122 - HN    THR  118   6.70 +/- 0.25   0.452% *  0.1441% (0.21   0.02   3.57) =   0.001%
          HN    PHE   59 - HN    THR  118  10.28 +/- 0.98   0.038% *  0.1702% (0.25   0.02  10.45) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.73 +/- 0.40   0.093% *  0.0558% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.19 +/- 0.78   0.013% *  0.2550% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.49 +/- 1.30   0.012% *  0.1195% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.42 +/- 1.98   0.001% *  0.4138% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  20.10 +/- 1.13   0.001% *  0.6454% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.00 +/- 1.18   0.001% *  0.5463% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.21 +/- 1.71   0.011% *  0.0315% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  23.21 +/- 2.13   0.000% *  0.2312% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  23.93 +/- 3.81   0.000% *  0.1307% (0.19   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  30.88 +/- 2.53   0.000% *  0.4954% (0.73   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 = 5.25, residual support = 41.9:
          HN    ALA   61 - HN    PHE   60   2.77 +/- 0.15  99.960% * 94.9999% (0.47   5.25  41.93) = 100.000%  kept
          HN    ALA   61 - HN    THR  118  12.82 +/- 0.94   0.013% *  0.2045% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  16.19 +/- 1.13   0.003% *  0.7755% (1.00   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  13.98 +/- 2.23   0.012% *  0.1535% (0.20   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.28 +/- 1.37   0.005% *  0.3587% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.94 +/- 1.11   0.002% *  0.5926% (0.76   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.25 +/- 0.75   0.001% *  0.2766% (0.36   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  19.55 +/- 1.35   0.001% *  0.2027% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  22.55 +/- 1.41   0.000% *  0.3139% (0.40   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  18.93 +/- 1.19   0.001% *  0.0634% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.67 +/- 0.89   0.000% *  0.7686% (0.99   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  23.35 +/- 2.84   0.000% *  0.1774% (0.23   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.71 +/- 1.32   0.001% *  0.0716% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  23.88 +/- 1.04   0.000% *  0.1563% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  32.29 +/- 1.97   0.000% *  0.6727% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  20.99 +/- 1.15   0.001% *  0.0405% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  21.55 +/- 2.61   0.001% *  0.0358% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  28.43 +/- 1.44   0.000% *  0.1358% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 71.8:
      O   HB3   PHE   60 - HN    PHE   60   2.87 +/- 0.38  99.513% * 98.9222% (0.47  10.0   4.94  71.84) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.07 +/- 2.10   0.309% *  0.0529% (0.25   1.0   0.02   3.30) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.54 +/- 1.35   0.112% *  0.0294% (0.14   1.0   0.02   1.66) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.04 +/- 1.27   0.013% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  12.06 +/- 1.16   0.021% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  17.01 +/- 1.36   0.004% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.62 +/- 1.60   0.015% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.59 +/- 1.11   0.004% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.35 +/- 2.46   0.001% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.53 +/- 0.79   0.004% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.79 +/- 1.61   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  19.38 +/- 2.22   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.05 +/- 1.05   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.62 +/- 1.53   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.53 +/- 1.82   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 = 20.4:
          HB3   PHE   59 - HN    PHE   60   3.42 +/- 0.51  98.279% * 96.9685% (0.39   4.01  20.40) =  99.995%  kept
          HB3   PHE   59 - HN    THR  118   8.05 +/- 1.15   1.705% *  0.2736% (0.22   0.02  10.45) =   0.005%
          HB3   TRP   49 - HN    PHE   60  16.33 +/- 0.92   0.011% *  0.4641% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.52 +/- 0.92   0.003% *  1.0373% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  22.95 +/- 1.66   0.001% *  0.2623% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  30.00 +/- 2.00   0.000% *  0.9944% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.10 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 = 2.79, residual support = 5.27:
        T HN    SER  117 - HN    THR  118   2.65 +/- 0.16  99.980% * 97.7507% (0.17 10.00   2.79   5.27) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.63 +/- 0.70   0.016% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  15.02 +/- 1.09   0.004% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  20.04 +/- 1.38   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.48 +/- 1.21   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  27.80 +/- 2.35   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.59, residual support = 37.0:
          QG2   THR  118 - HN    THR  118   3.34 +/- 0.27  98.691% * 99.2178% (0.13   4.59  37.04) =  99.990%  kept
          QG2   THR  118 - HN    PHE   60   7.42 +/- 1.27   1.309% *  0.7822% (0.23   0.02   0.02) =   0.010%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 4.19, residual support = 51.6:
      O   HB    THR  118 - HN    THR  118   2.09 +/- 0.08  70.030% * 18.8466% (0.05  10.0   3.63  37.04) =  55.904%  kept
      O   HA    PHE   60 - HN    PHE   60   2.79 +/- 0.04  12.753% * 79.4065% (0.22  10.0   4.94  71.84) =  42.894%  kept
          QB    SER  117 - HN    THR  118   2.76 +/- 0.36  17.201% *  1.6500% (0.03   1.0   3.16   5.27) =   1.202%  kept
          HB    THR  118 - HN    PHE   60   9.79 +/- 1.11   0.009% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.57 +/- 0.99   0.005% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.04 +/- 0.64   0.002% *  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 = 3.66, residual support = 37.1:
      O   HA    THR  118 - HN    THR  118   2.85 +/- 0.06  87.932% * 74.5274% (0.14  10.0   3.64  37.04) =  98.891%  kept
          HA    ILE  119 - HN    THR  118   5.05 +/- 0.20   2.986% * 24.4992% (0.17   1.0   5.60  40.21) =   1.104%  kept
          HD3   PRO   58 - HN    PHE   60   4.28 +/- 0.37   8.800% *  0.0309% (0.06   1.0   0.02   0.02) =   0.004%
          HA    ILE  119 - HN    PHE   60   8.97 +/- 0.88   0.109% *  0.1584% (0.30   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.76 +/- 1.65   0.082% *  0.0437% (0.08   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.76 +/- 1.07   0.021% *  0.1350% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.82 +/- 2.00   0.033% *  0.0792% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.77 +/- 0.96   0.008% *  0.0663% (0.13   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.74 +/- 1.21   0.023% *  0.0171% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.67 +/- 0.91   0.002% *  0.1475% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  18.86 +/- 0.88   0.001% *  0.1142% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.16 +/- 1.05   0.001% *  0.0366% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.43 +/- 1.67   0.000% *  0.0815% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  23.13 +/- 1.96   0.000% *  0.0631% (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 = 3.99, residual support = 20.4:
      O   HA    PHE   59 - HN    PHE   60   3.61 +/- 0.03  77.156% * 99.4803% (0.99  10.0   3.99  20.40) =  99.994%  kept
          HA    ILE   56 - HN    PHE   60   4.63 +/- 0.51  20.229% *  0.0154% (0.15   1.0   0.02   4.10) =   0.004%
          HA    ASP- 113 - HN    THR  118   6.96 +/- 0.64   1.765% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   8.91 +/- 1.06   0.582% *  0.0802% (0.80   1.0   0.02  10.45) =   0.001%
          HA    ASP- 113 - HN    PHE   60  12.77 +/- 0.96   0.046% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.22 +/- 0.87   0.182% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.10 +/- 1.40   0.011% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.82 +/- 1.14   0.004% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.35 +/- 1.27   0.005% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  22.31 +/- 1.12   0.001% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.00 +/- 1.30   0.006% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  18.36 +/- 2.44   0.008% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  24.10 +/- 2.16   0.001% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.50 +/- 1.50   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  22.95 +/- 1.54   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.69 +/- 1.19   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.77 +/- 1.44   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  32.70 +/- 1.39   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.53 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.92, support = 4.83, residual support = 67.8:
      O   HA    PHE   60 - HN    PHE   60   2.79 +/- 0.04  47.760% * 94.1499% (0.96  10.0   4.94  71.84) =  93.960%  kept
          QB    SER  117 - HN    THR  118   2.76 +/- 0.36  51.973% *  5.5611% (0.36   1.0   3.16   5.27) =   6.039%  kept
          HA    LYS+ 121 - HN    THR  118   7.04 +/- 0.46   0.209% *  0.0138% (0.14   1.0   0.02   7.80) =   0.000%
          HA    PHE   60 - HN    THR  118  10.57 +/- 0.99   0.021% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.04 +/- 0.64   0.008% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  10.97 +/- 1.26   0.016% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.14 +/- 0.62   0.005% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.10 +/- 0.95   0.005% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  16.32 +/- 1.06   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  15.06 +/- 0.85   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.86 +/- 1.15   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.95 +/- 1.35   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.03 +/- 1.42   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.33 +/- 1.32   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.65 +/- 1.92   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 = 0.532, support = 3.65, residual support = 23.9:
          HG12  ILE  119 - HN    THR  118   4.30 +/- 0.56  17.399% * 66.3450% (0.72   4.97  40.21) =  51.650%  kept
          QG    GLU-  15 - HN    GLU-  15   3.47 +/- 0.76  50.366% * 12.6010% (0.32   2.14  10.47) =  28.397%  kept
          QG    GLU-  14 - HN    GLU-  15   3.84 +/- 0.44  27.891% * 15.9686% (0.36   2.36   0.61) =  19.928%  kept
          HG12  ILE  119 - HN    PHE   60   7.35 +/- 0.84   0.626% *  0.3312% (0.89   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    PHE   60   7.61 +/- 1.19   0.501% *  0.3312% (0.89   0.02   0.70) =   0.007%
          HB2   ASP- 105 - HN    THR  118   6.30 +/- 1.09   2.889% *  0.0403% (0.11   0.02   4.51) =   0.005%
          HB3   PHE   72 - HN    PHE   60  10.07 +/- 1.08   0.082% *  0.3564% (0.96   0.02   7.79) =   0.001%
          HB3   PHE   72 - HN    GLU-  15  10.35 +/- 1.16   0.084% *  0.1418% (0.38   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    PHE   60  13.07 +/- 2.11   0.052% *  0.1518% (0.41   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.72 +/- 0.98   0.013% *  0.2669% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  11.22 +/- 0.77   0.041% *  0.0501% (0.13   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.77 +/- 1.13   0.006% *  0.2873% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.73 +/- 1.08   0.006% *  0.2957% (0.79   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  17.06 +/- 1.30   0.004% *  0.3661% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.28 +/- 1.28   0.018% *  0.0500% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.99 +/- 1.51   0.007% *  0.1224% (0.33   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.12 +/- 0.93   0.005% *  0.1317% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  19.05 +/- 1.46   0.002% *  0.3409% (0.91   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  19.66 +/- 1.54   0.002% *  0.2383% (0.64   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  20.89 +/- 1.31   0.001% *  0.2950% (0.79   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  17.82 +/- 1.68   0.003% *  0.0773% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.83 +/- 1.28   0.001% *  0.1317% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.62 +/- 1.86   0.000% *  0.2748% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.21 +/- 0.86   0.001% *  0.1943% (0.52   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.18 +/- 1.10   0.000% *  0.1566% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  26.81 +/- 1.36   0.000% *  0.1260% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  28.02 +/- 0.82   0.000% *  0.1456% (0.39   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.18 +/- 1.85   0.000% *  0.0604% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.37 +/- 1.63   0.001% *  0.0199% (0.05   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.15 +/- 1.84   0.000% *  0.1015% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0809, support = 1.91, residual support = 10.1:
      O   QB    GLU-  15 - HN    GLU-  15   3.15 +/- 0.18  84.986% * 46.5110% (0.06  10.0   1.95  10.47) =  96.123%  kept
          QB    GLU- 114 - HN    THR  118   5.07 +/- 0.86   8.282% * 14.2408% (0.48   1.0   0.75   0.02) =   2.868%  kept
          HG3   PRO   58 - HN    PHE   60   6.40 +/- 0.25   1.246% * 31.5648% (0.89   1.0   0.91   0.02) =   0.957%  kept
          HB2   LEU  115 - HN    THR  118   5.61 +/- 0.30   2.910% *  0.5431% (0.69   1.0   0.02   0.02) =   0.038%
          HB2   LEU  115 - HN    PHE   60   7.90 +/- 0.80   0.442% *  0.6739% (0.86   1.0   0.02   0.02) =   0.007%
          HB2   GLN   17 - HN    GLU-  15   6.48 +/- 0.49   1.360% *  0.0477% (0.06   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLU-  15   9.41 +/- 1.22   0.223% *  0.2122% (0.27   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    PHE   60  11.26 +/- 1.10   0.050% *  0.4712% (0.60   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   9.82 +/- 1.06   0.119% *  0.1937% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.83 +/- 0.66   0.058% *  0.3782% (0.48   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLU-  15  11.52 +/- 2.22   0.076% *  0.2361% (0.30   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.14 +/- 1.37   0.022% *  0.5615% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  10.91 +/- 1.34   0.072% *  0.1504% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.68 +/- 2.95   0.019% *  0.4785% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  15.26 +/- 1.46   0.010% *  0.5937% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.45 +/- 0.49   0.069% *  0.0770% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  14.70 +/- 0.79   0.009% *  0.5337% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  13.64 +/- 1.44   0.016% *  0.3048% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  13.40 +/- 1.13   0.017% *  0.1199% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.95 +/- 1.04   0.006% *  0.1199% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.46 +/- 1.19   0.001% *  0.4301% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.80 +/- 1.47   0.003% *  0.1561% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  22.43 +/- 1.23   0.001% *  0.2771% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  19.96 +/- 1.19   0.001% *  0.0966% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  23.58 +/- 1.08   0.001% *  0.2160% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.53 +/- 1.19   0.000% *  0.2680% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  21.22 +/- 1.20   0.001% *  0.0966% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.98 +/- 1.28   0.000% *  0.1874% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  22.29 +/- 1.09   0.001% *  0.0859% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  28.30 +/- 1.21   0.000% *  0.1741% (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 = 4.1:
          QG1   ILE   56 - HN    PHE   60   3.72 +/- 0.69  92.040% * 44.9972% (0.09   2.17   4.10) =  99.794%  kept
          HG3   PRO   93 - HN    PHE   60   8.93 +/- 1.28   1.252% *  1.6014% (0.36   0.02   0.02) =   0.048%
          QD    LYS+  38 - HN    GLU-  15  16.41 +/- 3.75   1.796% *  0.9996% (0.22   0.02   0.02) =   0.043%
          QD    LYS+ 106 - HN    THR  118   9.16 +/- 1.62   0.983% *  0.9890% (0.22   0.02   3.30) =   0.023%
          HB2   LEU  123 - HN    THR  118   8.63 +/- 0.62   0.906% *  0.9482% (0.21   0.02   0.02) =   0.021%
          HB3   MET   92 - HN    PHE   60  12.05 +/- 1.59   0.371% *  2.0954% (0.47   0.02   0.02) =   0.019%
          HD2   LYS+ 111 - HN    THR  118   9.92 +/- 1.25   0.501% *  1.1607% (0.26   0.02   0.02) =   0.014%
          QG1   ILE   56 - HN    THR  118   7.91 +/- 0.57   1.513% *  0.2343% (0.05   0.02   0.02) =   0.009%
          HB2   LEU   73 - HN    GLU-  15  14.26 +/- 1.60   0.075% *  4.3329% (0.97   0.02   0.02) =   0.008%
          HB2   LEU   73 - HN    PHE   60  13.52 +/- 1.24   0.073% *  2.0222% (0.45   0.02   1.38) =   0.004%
          QD    LYS+ 106 - HN    PHE   60  13.79 +/- 1.02   0.063% *  1.7502% (0.39   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    PHE   60  14.39 +/- 1.42   0.052% *  2.0539% (0.46   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    THR  118  12.33 +/- 2.48   0.113% *  0.9049% (0.20   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    PHE   60  13.37 +/- 1.10   0.059% *  1.6779% (0.37   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  17.34 +/- 1.70   0.021% *  3.5951% (0.80   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    THR  118  13.83 +/- 1.39   0.066% *  0.9482% (0.21   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    THR  118  14.50 +/- 1.15   0.032% *  1.1841% (0.26   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.40 +/- 1.22   0.015% *  1.6779% (0.37   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HN    GLU-  15  23.34 +/- 2.37   0.005% *  3.7501% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    GLU-  15  20.94 +/- 1.75   0.005% *  3.5951% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  16.50 +/- 1.64   0.021% *  0.6704% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.35 +/- 1.40   0.010% *  1.1427% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  25.23 +/- 2.00   0.002% *  3.4312% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  23.74 +/- 1.47   0.002% *  2.5419% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.13 +/- 1.10   0.004% *  1.1863% (0.26   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  19.69 +/- 1.30   0.005% *  0.8885% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  27.22 +/- 1.41   0.001% *  4.4897% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  21.46 +/- 2.15   0.006% *  0.4665% (0.10   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.95 +/- 2.00   0.000% *  4.4008% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  19.98 +/- 1.37   0.006% *  0.2636% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.66, residual support = 41.8:
          QB    ALA   61 - HN    PHE   60   4.34 +/- 0.16  69.009% * 72.5989% (0.25   2.67  41.93) =  99.566%  kept
          HD3   LYS+ 121 - HN    THR  118   6.31 +/- 1.64  18.186% *  0.5398% (0.24   0.02   7.80) =   0.195%
          HG12  ILE   19 - HN    GLU-  15   7.96 +/- 1.14   3.288% *  1.8521% (0.84   0.02   0.02) =   0.121%
          QB    ALA   12 - HN    GLU-  15   7.45 +/- 0.59   3.054% *  0.8322% (0.38   0.02   0.02) =   0.051%
          QB    ALA  110 - HN    PHE   60   8.88 +/- 2.22   1.824% *  0.7909% (0.36   0.02   0.02) =   0.029%
          QB    ALA  110 - HN    THR  118   9.58 +/- 1.10   0.859% *  0.4469% (0.20   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    GLU-  15  10.84 +/- 1.18   0.351% *  0.8322% (0.38   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    PHE   60  11.85 +/- 1.06   0.208% *  0.9281% (0.42   0.02   0.02) =   0.004%
          QG    LYS+  66 - HN    THR  118  11.34 +/- 2.75   1.403% *  0.1302% (0.06   0.02   0.02) =   0.004%
          QG    LYS+  66 - HN    PHE   60   9.48 +/- 1.04   0.782% *  0.2304% (0.10   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    GLU-  15  12.51 +/- 1.23   0.154% *  1.1666% (0.53   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  14.32 +/- 0.99   0.061% *  1.9886% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    PHE   60  11.77 +/- 0.99   0.190% *  0.3884% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.27 +/- 1.27   0.068% *  0.9553% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.30 +/- 1.67   0.124% *  0.4937% (0.22   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.50 +/- 0.83   0.140% *  0.3077% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  15.88 +/- 1.37   0.036% *  0.8644% (0.39   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  17.23 +/- 1.38   0.020% *  1.4344% (0.65   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  15.12 +/- 1.10   0.042% *  0.6695% (0.30   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  13.84 +/- 1.23   0.073% *  0.3783% (0.17   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    THR  118  14.15 +/- 1.26   0.067% *  0.2195% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.89 +/- 2.10   0.013% *  1.0257% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  22.76 +/- 3.06   0.006% *  2.0469% (0.92   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  20.50 +/- 2.33   0.008% *  0.7515% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  24.31 +/- 1.87   0.003% *  2.1978% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  23.47 +/- 1.96   0.003% *  1.6946% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  24.35 +/- 2.69   0.003% *  1.6102% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.67 +/- 1.05   0.009% *  0.5245% (0.24   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.03 +/- 1.97   0.005% *  0.4885% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  22.01 +/- 1.26   0.004% *  0.3884% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  24.82 +/- 3.33   0.003% *  0.5796% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  26.34 +/- 3.71   0.002% *  0.4247% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.60 +/- 1.18   0.001% *  0.2195% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.73, residual support = 25.6:
      O   QB    ALA   34 - HN    ALA   34   2.02 +/- 0.08  99.065% * 99.2769% (0.89  10.0   3.73  25.59) = 100.000%  kept
          QG2   THR   23 - HN    LEU   80   6.82 +/- 2.02   0.167% *  0.0983% (0.89   1.0   0.02   1.27) =   0.000%
          QG2   THR   39 - HN    ALA   34   6.03 +/- 1.36   0.438% *  0.0308% (0.28   1.0   0.02   2.96) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.57 +/- 0.45   0.248% *  0.0221% (0.20   1.0   0.02   0.62) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.82 +/- 1.36   0.068% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  10.13 +/- 1.63   0.011% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.11 +/- 1.07   0.002% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.57 +/- 1.52   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.41 +/- 2.02   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.85 +/- 1.40   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.34 +/- 0.65   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  19.93 +/- 1.54   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.36 +/- 1.09   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  28.47 +/- 3.40   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.54, residual support = 25.7:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.02  95.642% * 83.2232% (0.56  10.0   3.53  25.59) =  99.300%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.20   3.642% * 15.3906% (0.47   1.0   4.44  36.53) =   0.699%  kept
          HA    GLU-  36 - HN    ALA   34   6.92 +/- 0.12   0.389% *  0.0604% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.81 +/- 0.29   0.193% *  0.1123% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.36 +/- 1.77   0.125% *  0.0552% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  15.04 +/- 2.83   0.006% *  0.1006% (0.68   1.0   0.02   0.25) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.53 +/- 0.70   0.002% *  0.1291% (0.88   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.21 +/- 1.97   0.000% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.04 +/- 2.60   0.000% *  0.1357% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.74 +/- 1.00   0.000% *  0.1067% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  22.68 +/- 2.31   0.000% *  0.0745% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.65 +/- 2.48   0.000% *  0.0773% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.71 +/- 3.35   0.000% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.06 +/- 1.10   0.000% *  0.1441% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.70 +/- 2.50   0.000% *  0.0541% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.95 +/- 1.78   0.000% *  0.0367% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.77 +/- 2.00   0.000% *  0.0328% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.10 +/- 1.82   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 = 0.977, support = 6.93, residual support = 43.0:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  74.157% * 91.0845% (0.99  10.0   6.97  43.87) =  98.090%  kept
          HA    GLN   32 - HN    ALA   34   4.64 +/- 0.19  16.844% *  7.7826% (0.34   1.0   4.97   0.02) =   1.904%  kept
          HB2   SER   82 - HN    LEU   80   6.62 +/- 0.84   2.677% *  0.0779% (0.85   1.0   0.02   0.22) =   0.003%
          HA    GLU-  29 - HN    ALA   34   7.14 +/- 0.58   1.489% *  0.0911% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.08 +/- 0.53   3.953% *  0.0161% (0.17   1.0   0.02   1.72) =   0.001%
          HA    SER   48 - HN    LEU   80   9.52 +/- 1.85   0.471% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.02 +/- 1.10   0.197% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.74 +/- 0.97   0.044% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  10.63 +/- 0.76   0.125% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.67 +/- 1.33   0.009% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  17.94 +/- 2.44   0.007% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.06 +/- 2.03   0.020% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  22.44 +/- 3.56   0.002% *  0.0869% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  23.40 +/- 2.42   0.001% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  23.41 +/- 1.69   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.75 +/- 1.22   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.11 +/- 2.75   0.002% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.59 +/- 1.91   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.98 +/- 1.02   0.001% *  0.0557% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  27.09 +/- 1.76   0.000% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  25.63 +/- 2.06   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.12 +/- 1.21   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.754, support = 5.47, residual support = 42.1:
          HG3   LYS+  33 - HN    ALA   34   3.70 +/- 0.61  73.416% * 83.3545% (0.76   5.66  43.87) =  95.938%  kept
          QB    ALA   84 - HN    LEU   80   4.66 +/- 0.63  25.025% * 10.3434% (0.54   0.99   0.02) =   4.058%  kept
          HB3   LEU   73 - HN    ALA   34  10.09 +/- 0.79   0.188% *  0.3459% (0.89   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   7.99 +/- 0.69   0.789% *  0.0676% (0.17   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.24 +/- 1.37   0.258% *  0.1878% (0.49   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  11.30 +/- 0.66   0.091% *  0.3222% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  12.79 +/- 1.76   0.052% *  0.3099% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.14 +/- 1.19   0.027% *  0.3561% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.71 +/- 1.74   0.056% *  0.0862% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  15.21 +/- 1.32   0.016% *  0.2235% (0.58   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  15.25 +/- 1.72   0.018% *  0.1448% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.61 +/- 1.23   0.006% *  0.3849% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  18.08 +/- 1.50   0.006% *  0.2886% (0.75   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.25 +/- 1.06   0.010% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  21.43 +/- 2.40   0.002% *  0.3447% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  20.59 +/- 1.48   0.003% *  0.3222% (0.83   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  19.50 +/- 3.02   0.005% *  0.1682% (0.44   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  20.43 +/- 1.78   0.003% *  0.2340% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  21.73 +/- 2.69   0.002% *  0.2640% (0.68   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  17.83 +/- 2.29   0.007% *  0.0605% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.55 +/- 1.21   0.001% *  0.2886% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.60 +/- 0.94   0.006% *  0.0676% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  22.43 +/- 1.38   0.002% *  0.2495% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  20.81 +/- 1.89   0.002% *  0.1448% (0.37   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.31 +/- 1.92   0.001% *  0.3334% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.77 +/- 1.79   0.004% *  0.0605% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  27.10 +/- 2.98   0.001% *  0.3189% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  24.83 +/- 2.25   0.001% *  0.1297% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.68 +/- 1.01   0.000% *  0.3723% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.68 +/- 1.66   0.000% *  0.1297% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.87, residual support = 43.4:
          QB    LYS+  33 - HN    ALA   34   2.82 +/- 0.23  94.544% * 48.6646% (0.72   5.93  43.87) =  97.849%  kept
          QB    LYS+  81 - HN    LEU   80   5.68 +/- 0.28   1.715% * 37.8452% (0.78   4.31  36.53) =   1.380%  kept
          HB3   GLN   30 - HN    ALA   34   5.22 +/- 0.81   3.554% * 10.1847% (0.69   1.31   1.23) =   0.770%  kept
          HB3   LYS+  38 - HN    ALA   34   8.83 +/- 0.92   0.119% *  0.1962% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.47 +/- 1.33   0.028% *  0.1622% (0.72   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.50 +/- 2.33   0.014% *  0.1066% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.91 +/- 1.18   0.004% *  0.2029% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  16.09 +/- 2.28   0.004% *  0.1392% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.09 +/- 0.93   0.005% *  0.1190% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.39 +/- 1.88   0.002% *  0.1817% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.99 +/- 1.70   0.001% *  0.1955% (0.86   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.17 +/- 1.05   0.002% *  0.1101% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.89 +/- 1.12   0.002% *  0.1372% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  17.75 +/- 1.23   0.002% *  0.1147% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  19.23 +/- 2.09   0.001% *  0.1471% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  23.10 +/- 2.81   0.000% *  0.1962% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.55 +/- 1.17   0.000% *  0.2183% (0.96   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.93 +/- 2.63   0.000% *  0.1066% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  23.88 +/- 2.09   0.000% *  0.1229% (0.54   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.38 +/- 1.13   0.000% *  0.1190% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.74 +/- 1.02   0.000% *  0.0691% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  28.07 +/- 3.01   0.000% *  0.1758% (0.78   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  27.96 +/- 1.11   0.000% *  0.1811% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.51 +/- 1.42   0.000% *  0.1281% (0.56   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.21 +/- 0.84   0.000% *  0.0772% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.89 +/- 1.70   0.000% *  0.0986% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.509, support = 7.06, residual support = 79.1:
      O   HA    LEU   80 - HN    LEU   80   2.90 +/- 0.03  89.370% * 73.5577% (0.50  10.0   7.17  81.14) =  97.311%  kept
          HA    ASP-  78 - HN    LEU   80   4.39 +/- 0.18   7.706% * 22.9448% (0.94   1.0   3.29   4.81) =   2.617%  kept
          HA    THR   23 - HN    LEU   80   6.89 +/- 2.18   1.554% *  3.0771% (0.85   1.0   0.49   1.27) =   0.071%
          HB    THR   23 - HN    LEU   80   7.16 +/- 2.06   1.359% *  0.0525% (0.36   1.0   0.02   1.27) =   0.001%
          HA    THR   23 - HN    ALA   34  14.94 +/- 0.66   0.005% *  0.1037% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.06 +/- 0.63   0.003% *  0.0434% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  21.61 +/- 3.58   0.001% *  0.0608% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.27 +/- 1.20   0.000% *  0.1153% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.21 +/- 0.93   0.002% *  0.0202% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.73 +/- 2.36   0.000% *  0.0245% (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 = 5.43, residual support = 48.0:
      O   HA    GLU-  79 - HN    LEU   80   3.62 +/- 0.01  93.416% * 98.8868% (0.76  10.0   5.43  48.03) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   5.98 +/- 0.69   5.387% *  0.0381% (0.29   1.0   0.02   0.62) =   0.002%
          HA    THR   39 - HN    ALA   34   8.09 +/- 0.36   0.789% *  0.0886% (0.68   1.0   0.02   2.96) =   0.001%
          HA    SER   85 - HN    LEU   80   9.82 +/- 0.50   0.252% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.09 +/- 0.83   0.046% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.86 +/- 1.53   0.059% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  16.88 +/- 1.74   0.012% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.93 +/- 1.05   0.010% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.82 +/- 0.62   0.014% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  22.04 +/- 1.49   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  23.23 +/- 0.90   0.001% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  22.34 +/- 2.53   0.002% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.45 +/- 2.42   0.004% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  25.73 +/- 1.88   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.44 +/- 0.88   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.14 +/- 1.35   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.69 +/- 1.02   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  26.84 +/- 2.28   0.001% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  28.14 +/- 2.00   0.000% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  33.51 +/- 2.29   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 = 5.42, residual support = 47.2:
          HB3   GLU-  79 - HN    LEU   80   3.00 +/- 0.66  91.793% * 76.2200% (0.79   5.48  48.03) =  98.323%  kept
          QB    GLU-  36 - HN    ALA   34   5.29 +/- 0.32   5.547% * 21.4320% (0.70   1.74   0.02) =   1.671%  kept
          HB3   GLU-  29 - HN    ALA   34   8.04 +/- 0.87   0.732% *  0.2745% (0.78   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    ALA   34   8.17 +/- 1.26   1.570% *  0.0849% (0.24   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HN    ALA   34   9.86 +/- 1.16   0.244% *  0.2102% (0.60   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    LEU   80  10.82 +/- 1.54   0.098% *  0.3072% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  16.44 +/- 2.11   0.008% *  0.2543% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  17.72 +/- 2.35   0.005% *  0.3320% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  20.21 +/- 1.94   0.002% *  0.2298% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  23.54 +/- 2.18   0.001% *  0.2984% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  27.93 +/- 1.07   0.000% *  0.2540% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  28.15 +/- 3.24   0.000% *  0.1027% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.70 +/- 0.06  99.992% * 98.7794% (0.80 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  23.02 +/- 2.57   0.000% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.11 +/- 0.65   0.005% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.25 +/- 2.25   0.001% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  19.50 +/- 2.24   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.30 +/- 1.85   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  31.78 +/- 2.06   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.21 +/- 1.03   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 = 4.8, residual support = 36.5:
          HN    LYS+  81 - HN    LEU   80   3.97 +/- 0.27  98.398% * 98.2347% (0.89   4.80  36.53) =  99.998%  kept
          HE3   TRP   27 - HN    LEU   80   9.70 +/- 3.06   1.330% *  0.0913% (0.20   0.02   3.60) =   0.001%
          QD    PHE   60 - HN    LEU   80  13.83 +/- 1.10   0.061% *  0.3284% (0.72   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   34  11.83 +/- 0.51   0.163% *  0.1020% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.40 +/- 1.09   0.024% *  0.3667% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.82 +/- 0.93   0.010% *  0.1413% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  23.69 +/- 3.32   0.003% *  0.4569% (1.00   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.70 +/- 1.26   0.008% *  0.0718% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.63 +/- 1.14   0.002% *  0.1266% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.45 +/- 0.83   0.001% *  0.0802% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.707, support = 1.51, residual support = 1.44:
          HA    GLN   30 - HN    ALA   34   4.33 +/- 0.86  51.713% * 37.9057% (0.80   1.56   1.23) =  67.501%  kept
          HB3   SER   37 - HN    ALA   34   4.73 +/- 0.32  32.037% * 20.2293% (0.45   1.49   1.72) =  22.317%  kept
          HB    THR   39 - HN    ALA   34   6.52 +/- 1.09   7.968% * 27.1385% (0.61   1.48   2.96) =   7.446%  kept
          HB3   SER   82 - HN    LEU   80   6.70 +/- 0.99   7.704% * 10.2921% (0.82   0.41   0.22) =   2.730%  kept
          HA    ILE   89 - HN    LEU   80  10.02 +/- 0.70   0.399% *  0.2436% (0.40   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ALA   34  15.25 +/- 2.34   0.067% *  0.3924% (0.65   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.30 +/- 2.25   0.024% *  0.4713% (0.78   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   80  14.02 +/- 1.06   0.053% *  0.2039% (0.34   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LEU   80  18.12 +/- 2.40   0.014% *  0.4351% (0.72   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  21.70 +/- 3.39   0.005% *  0.5600% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  24.21 +/- 1.94   0.002% *  0.3296% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  24.52 +/- 1.40   0.002% *  0.2720% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  26.19 +/- 1.83   0.001% *  0.3515% (0.58   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  24.68 +/- 2.31   0.002% *  0.2436% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.27 +/- 1.15   0.004% *  0.0936% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.99 +/- 1.04   0.002% *  0.2277% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.74 +/- 1.29   0.001% *  0.5262% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.95 +/- 2.05   0.003% *  0.0838% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.743, support = 1.78, residual support = 4.76:
          HA    LEU   31 - HN    ALA   34   3.17 +/- 0.41  75.600% * 85.8886% (0.76   1.83   4.96) =  95.407%  kept
          HA    THR   77 - HN    LEU   80   4.11 +/- 0.96  24.396% * 12.8122% (0.34   0.62   0.62) =   4.593%  kept
          HA    LEU   31 - HN    LEU   80  18.91 +/- 2.65   0.003% *  0.8391% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.48 +/- 1.00   0.001% *  0.4601% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.396, support = 3.24, residual support = 4.8:
          HA    ASP-  78 - HN    LEU   80   4.39 +/- 0.18  77.556% * 83.5303% (0.40   3.29   4.81) =  98.052%  kept
          HA    THR   23 - HN    LEU   80   6.89 +/- 2.18  15.255% *  5.5014% (0.18   0.49   1.27) =   1.270%  kept
          HA    VAL   41 - HN    ALA   34   7.03 +/- 0.61   5.211% *  8.3058% (0.17   0.75   9.27) =   0.655%  kept
          HA    PHE   45 - HN    LEU   80   8.76 +/- 1.41   1.890% *  0.7781% (0.61   0.02   0.02) =   0.022%
          HA    PHE   45 - HN    ALA   34  17.60 +/- 0.57   0.019% *  0.8687% (0.69   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ALA   34  14.94 +/- 0.66   0.051% *  0.2503% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  18.86 +/- 1.89   0.015% *  0.1984% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.27 +/- 1.20   0.003% *  0.5670% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.713, support = 3.65, residual support = 15.4:
          HB2   ASP-  76 - HN    LEU   80   4.59 +/- 0.79  50.246% * 27.5834% (0.75   2.89   2.43) =  44.862%  kept
          QE    LYS+  33 - HN    ALA   34   5.23 +/- 0.62  26.689% * 34.5523% (0.52   5.14  43.87) =  29.849%  kept
          HB2   ASP-  78 - HN    LEU   80   5.20 +/- 0.70  21.384% * 36.5294% (0.88   3.26   4.81) =  25.285%  kept
          HB2   ASN   28 - HN    ALA   34   9.69 +/- 0.47   0.473% *  0.1050% (0.41   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80   9.04 +/- 0.81   1.008% *  0.0310% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.85 +/- 1.19   0.090% *  0.1855% (0.72   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  14.61 +/- 2.80   0.074% *  0.0940% (0.37   0.02   0.25) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.73 +/- 1.26   0.007% *  0.2133% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  19.55 +/- 2.11   0.009% *  0.1204% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.74 +/- 1.51   0.008% *  0.0710% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  24.25 +/- 1.44   0.002% *  0.2504% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.27 +/- 1.32   0.006% *  0.0636% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  27.56 +/- 1.66   0.001% *  0.1661% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  22.33 +/- 2.53   0.004% *  0.0346% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.31, residual support = 48.0:
          HB2   GLU-  79 - HN    LEU   80   3.16 +/- 0.52  97.637% * 94.4693% (0.44   5.31  48.03) =  99.992%  kept
          HG3   GLU-  36 - HN    ALA   34   7.14 +/- 0.86   2.242% *  0.2785% (0.34   0.02   0.02) =   0.007%
          HG3   GLU-  25 - HN    LEU   80  12.43 +/- 2.25   0.059% *  0.7169% (0.88   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.79 +/- 2.38   0.015% *  0.6344% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.49 +/- 0.69   0.010% *  0.8004% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  13.63 +/- 2.33   0.030% *  0.2495% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.87 +/- 1.60   0.002% *  0.3975% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.99 +/- 2.30   0.002% *  0.3007% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.58 +/- 1.82   0.001% *  0.3357% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.84 +/- 1.06   0.001% *  0.2745% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.09 +/- 1.38   0.000% *  0.7083% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.74 +/- 0.95   0.000% *  0.3065% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.65 +/- 1.86   0.001% *  0.2785% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  27.14 +/- 2.58   0.000% *  0.2495% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.77, support = 5.39, residual support = 46.7:
          HB3   GLU-  79 - HN    LEU   80   3.00 +/- 0.66  86.250% * 68.1801% (0.78   5.48  48.03) =  97.330%  kept
          QB    GLU-  36 - HN    ALA   34   5.29 +/- 0.32   4.787% * 22.2571% (0.80   1.74   0.02) =   1.764%  kept
          QB    GLN   32 - HN    ALA   34   4.93 +/- 0.17   6.830% *  7.9865% (0.17   2.85   0.02) =   0.903%  kept
          HB3   GLU-  29 - HN    ALA   34   8.04 +/- 0.87   0.738% *  0.1558% (0.49   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    LEU   80   8.71 +/- 2.93   0.890% *  0.0638% (0.20   0.02   6.38) =   0.001%
          HG3   GLU- 100 - HN    ALA   34   9.47 +/- 1.48   0.167% *  0.1558% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.86 +/- 1.16   0.214% *  0.0560% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  10.82 +/- 1.54   0.091% *  0.0885% (0.28   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.06 +/- 0.75   0.014% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  17.72 +/- 2.35   0.004% *  0.1395% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  20.21 +/- 1.94   0.002% *  0.2776% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  16.44 +/- 2.11   0.007% *  0.0502% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  23.54 +/- 2.18   0.001% *  0.2295% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  18.99 +/- 2.28   0.003% *  0.0502% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  26.95 +/- 2.33   0.000% *  0.1395% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  27.93 +/- 1.07   0.000% *  0.0988% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.682, support = 0.218, residual support = 0.435:
          QG1   VAL   75 - HN    LEU   80   5.24 +/- 1.48  99.113% * 74.7761% (0.68   0.22   0.44) =  99.905%  kept
          QG1   VAL   75 - HN    ALA   34  13.65 +/- 0.89   0.659% *  7.6673% (0.76   0.02   0.02) =   0.068%
          QD1   LEU  115 - HN    LEU   80  18.15 +/- 1.68   0.155% *  8.2952% (0.82   0.02   0.02) =   0.017%
          QD1   LEU  115 - HN    ALA   34  20.78 +/- 1.01   0.073% *  9.2614% (0.92   0.02   0.02) =   0.009%
    Distance limit 4.58 A violated in 7 structures by 0.92 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 = 0.337, support = 6.17, residual support = 79.4:
          QD2   LEU   80 - HN    LEU   80   3.57 +/- 0.46  51.763% * 53.4511% (0.40   5.96  81.14) =  69.839%  kept
          QD1   LEU   80 - HN    LEU   80   3.75 +/- 0.88  39.351% * 27.9241% (0.18   7.05  81.14) =  27.737%  kept
          QG2   VAL   41 - HN    ALA   34   4.99 +/- 0.57   6.251% * 15.2351% (0.34   2.00   9.27) =   2.404%  kept
          QD1   LEU   73 - HN    ALA   34   6.26 +/- 0.90   1.823% *  0.3731% (0.83   0.02   0.02) =   0.017%
          QD2   LEU   98 - HN    ALA   34   7.65 +/- 1.06   0.644% *  0.0884% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   80  11.57 +/- 1.73   0.047% *  0.3341% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  13.98 +/- 1.06   0.016% *  0.4006% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.65 +/- 1.20   0.012% *  0.3731% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.58 +/- 0.78   0.041% *  0.1114% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  16.10 +/- 4.42   0.011% *  0.2002% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.42 +/- 1.93   0.006% *  0.3341% (0.75   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  14.66 +/- 1.83   0.009% *  0.1365% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.17 +/- 1.61   0.003% *  0.3588% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  15.21 +/- 2.39   0.011% *  0.0792% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  17.14 +/- 4.43   0.007% *  0.0884% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.15 +/- 1.86   0.002% *  0.1947% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.92 +/- 1.31   0.002% *  0.2174% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  21.66 +/- 2.11   0.001% *  0.0998% (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 = 0.652, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.54 +/- 2.65  18.918% * 31.5414% (1.00   0.02   0.02) =  43.278%  kept
          HB3   LEU  104 - HN    ALA   34  15.83 +/- 0.90  54.936% *  7.0378% (0.22   0.02   0.02) =  28.042%  kept
          HG3   LYS+ 121 - HN    ALA   34  19.83 +/- 2.18  16.242% * 14.1725% (0.45   0.02   0.02) =  16.696%  kept
          QD2   LEU  123 - HN    LEU   80  24.79 +/- 1.80   3.925% * 28.2508% (0.89   0.02   0.02) =   8.042%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.00 +/- 2.64   2.604% * 12.6939% (0.40   0.02   0.02) =   2.398%  kept
          HB3   LEU  104 - HN    LEU   80  25.79 +/- 2.26   3.375% *  6.3036% (0.20   0.02   0.02) =   1.543%  kept
    Distance limit 4.40 A violated in 20 structures by 9.86 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.741, support = 5.88, residual support = 43.6:
          QB    LYS+  33 - HN    ALA   34   2.82 +/- 0.23  94.544% * 47.8834% (0.74   5.93  43.87) =  97.997%  kept
          QB    LYS+  81 - HN    LEU   80   5.68 +/- 0.28   1.715% * 44.3998% (0.94   4.31  36.53) =   1.648%  kept
          HB3   GLN   30 - HN    ALA   34   5.22 +/- 0.81   3.554% *  4.6040% (0.32   1.31   1.23) =   0.354%
          HB3   LYS+  38 - HN    ALA   34   8.83 +/- 0.92   0.119% *  0.1036% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.47 +/- 1.33   0.028% *  0.2026% (0.93   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.50 +/- 2.33   0.014% *  0.0575% (0.26   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.09 +/- 0.93   0.005% *  0.1368% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.91 +/- 1.18   0.004% *  0.1709% (0.78   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.39 +/- 1.88   0.002% *  0.2067% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  16.09 +/- 2.28   0.004% *  0.0850% (0.39   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  17.75 +/- 1.23   0.002% *  0.1726% (0.79   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.17 +/- 1.05   0.002% *  0.1306% (0.60   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.89 +/- 1.12   0.002% *  0.1482% (0.68   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  19.23 +/- 2.09   0.001% *  0.1955% (0.89   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.99 +/- 1.70   0.001% *  0.1579% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  23.10 +/- 2.81   0.000% *  0.1705% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.93 +/- 2.63   0.000% *  0.1655% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  23.88 +/- 2.09   0.000% *  0.1793% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.55 +/- 1.17   0.000% *  0.1306% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  27.96 +/- 1.11   0.000% *  0.1675% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.89 +/- 1.70   0.000% *  0.1579% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  28.07 +/- 3.01   0.000% *  0.1253% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.51 +/- 1.42   0.000% *  0.1427% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.74 +/- 1.02   0.000% *  0.0319% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.38 +/- 1.13   0.000% *  0.0475% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.21 +/- 0.84   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 = 3.73, residual support = 25.6:
      O   QB    ALA   34 - HN    ALA   34   2.02 +/- 0.08  99.543% * 98.3406% (0.24  10.0   3.73  25.59) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   5.57 +/- 0.45   0.249% *  0.3086% (0.76   1.0   0.02   0.62) =   0.001%
          QG2   THR   23 - HN    LEU   80   6.82 +/- 2.02   0.167% *  0.2493% (0.61   1.0   0.02   1.27) =   0.000%
          HG2   LYS+  38 - HN    ALA   34   8.29 +/- 0.84   0.033% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  10.79 +/- 0.62   0.005% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.11 +/- 1.07   0.002% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.34 +/- 0.65   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.57 +/- 1.52   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.41 +/- 2.02   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.85 +/- 1.40   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  23.67 +/- 1.52   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  28.07 +/- 3.06   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 = 0.279, support = 5.72, residual support = 81.1:
      O   HB2   LEU   80 - HN    LEU   80   2.40 +/- 0.29  96.325% * 50.2015% (0.26  10.0   5.69  81.14) =  96.668%  kept
          HG    LEU   80 - HN    LEU   80   4.28 +/- 0.57   3.525% * 47.2684% (0.76   1.0   6.54  81.14) =   3.331%  kept
          HG    LEU   73 - HN    ALA   34   8.43 +/- 0.94   0.066% *  0.1247% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  10.57 +/- 1.05   0.022% *  0.1025% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.42 +/- 0.83   0.022% *  0.0509% (0.27   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  13.68 +/- 1.57   0.007% *  0.1084% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80  10.67 +/- 1.56   0.016% *  0.0279% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  14.26 +/- 1.09   0.003% *  0.1490% (0.78   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  14.57 +/- 1.91   0.002% *  0.1508% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  16.24 +/- 0.83   0.001% *  0.1708% (0.89   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.55 +/- 2.16   0.001% *  0.1380% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  18.05 +/- 0.77   0.001% *  0.1412% (0.74   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  15.07 +/- 1.58   0.003% *  0.0372% (0.20   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  17.57 +/- 1.48   0.001% *  0.1240% (0.65   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.84 +/- 1.38   0.001% *  0.1441% (0.75   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  19.74 +/- 4.77   0.000% *  0.1195% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.91 +/- 0.80   0.002% *  0.0230% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  23.49 +/- 1.80   0.000% *  0.1802% (0.94   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.64 +/- 1.51   0.000% *  0.1742% (0.91   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.53 +/- 1.03   0.000% *  0.1141% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.21 +/- 2.07   0.000% *  0.0616% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.19 +/- 3.36   0.000% *  0.0415% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  19.89 +/- 2.85   0.000% *  0.0261% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  22.59 +/- 2.12   0.000% *  0.0616% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.22 +/- 0.79   0.000% *  0.0509% (0.27   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  27.01 +/- 2.73   0.000% *  0.1311% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  24.06 +/- 2.10   0.000% *  0.0450% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  26.72 +/- 2.62   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 = 0.744, support = 0.771, residual support = 8.7:
          QG1   VAL   41 - HN    ALA   34   4.31 +/- 0.60  70.032% * 48.3304% (0.78   0.75   9.27) =  87.303%  kept
          HG    LEU   31 - HN    ALA   34   5.98 +/- 0.51  12.199% * 39.2683% (0.51   0.94   4.96) =  12.356%  kept
          QG2   THR   46 - HN    LEU   80   6.81 +/- 0.75   5.948% *  0.9475% (0.57   0.02   0.02) =   0.145%
          QD2   LEU   73 - HN    ALA   34   6.74 +/- 1.04   7.029% *  0.6287% (0.38   0.02   0.02) =   0.114%
          QG1   VAL   43 - HN    ALA   34   8.81 +/- 0.71   1.032% *  1.1924% (0.72   0.02   0.02) =   0.032%
          QD1   ILE   19 - HN    ALA   34   7.80 +/- 0.93   2.652% *  0.3591% (0.22   0.02   0.02) =   0.025%
          QG1   VAL   43 - HN    LEU   80  11.60 +/- 2.00   0.304% *  1.4421% (0.87   0.02   0.02) =   0.011%
          QD2   LEU   73 - HN    LEU   80  12.51 +/- 1.72   0.195% *  0.7604% (0.46   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    LEU   80  12.87 +/- 1.16   0.115% *  1.1344% (0.69   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    ALA   34  12.75 +/- 0.85   0.121% *  0.9380% (0.57   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   80  16.49 +/- 1.80   0.028% *  1.5588% (0.94   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  11.75 +/- 0.76   0.176% *  0.2262% (0.14   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   80  16.75 +/- 3.05   0.035% *  1.0106% (0.61   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    LEU   80  14.61 +/- 1.40   0.058% *  0.4344% (0.26   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.90 +/- 0.92   0.022% *  0.7834% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   80  15.52 +/- 2.05   0.040% *  0.3895% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  19.77 +/- 1.19   0.008% *  0.3221% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  21.65 +/- 2.06   0.005% *  0.2736% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 5.96, residual support = 81.1:
          QD2   LEU   80 - HN    LEU   80   3.57 +/- 0.46  77.099% * 96.9043% (0.85   5.96  81.14) =  99.960%  kept
          QG1   VAL   83 - HN    LEU   80   4.75 +/- 0.56  18.487% *  0.0904% (0.24   0.02   0.02) =   0.022%
          QD1   LEU   73 - HN    ALA   34   6.26 +/- 0.90   4.087% *  0.2938% (0.77   0.02   0.02) =   0.016%
          QD1   LEU   73 - HN    LEU   80  11.57 +/- 1.73   0.112% *  0.3554% (0.93   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   34  11.58 +/- 0.78   0.083% *  0.2059% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  16.10 +/- 4.42   0.030% *  0.2688% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.65 +/- 1.20   0.022% *  0.2938% (0.77   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.42 +/- 1.93   0.013% *  0.3554% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  13.98 +/- 1.06   0.030% *  0.1344% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.15 +/- 1.86   0.005% *  0.3347% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  15.62 +/- 2.31   0.020% *  0.0747% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.17 +/- 1.61   0.007% *  0.1625% (0.42   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.92 +/- 1.31   0.003% *  0.2767% (0.72   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  21.66 +/- 2.11   0.002% *  0.2490% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.218, residual support = 0.435:
          QG1   VAL   75 - HN    LEU   80   5.24 +/- 1.48  99.113% * 84.5796% (0.46   0.22   0.44) =  99.937%  kept
          QG1   VAL   75 - HN    ALA   34  13.65 +/- 0.89   0.659% *  6.4225% (0.38   0.02   0.02) =   0.050%
          QD1   LEU  115 - HN    LEU   80  18.15 +/- 1.68   0.155% *  4.9255% (0.29   0.02   0.02) =   0.009%
          QD1   LEU  115 - HN    ALA   34  20.78 +/- 1.01   0.073% *  4.0725% (0.24   0.02   0.02) =   0.004%
    Distance limit 4.39 A violated in 7 structures by 1.04 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.624, support = 3.52, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.02  95.594% * 89.3936% (0.63  10.0   3.53  25.59) =  99.607%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.20   3.640% *  9.2594% (0.29   1.0   4.44  36.53) =   0.393%
          HA    ASN   28 - HN    ALA   34   7.81 +/- 0.29   0.192% *  0.1056% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.92 +/- 0.12   0.389% *  0.0249% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.36 +/- 1.77   0.125% *  0.0677% (0.47   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ALA   34  10.38 +/- 0.82   0.042% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  15.04 +/- 2.83   0.006% *  0.1277% (0.89   1.0   0.02   0.25) =   0.000%
          HA    THR   26 - HN    LEU   80  13.82 +/- 1.96   0.008% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.53 +/- 0.70   0.002% *  0.1128% (0.79   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.21 +/- 1.97   0.000% *  0.1246% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  22.68 +/- 2.31   0.000% *  0.1081% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.74 +/- 1.00   0.000% *  0.1031% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.71 +/- 3.35   0.000% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.04 +/- 2.60   0.000% *  0.0811% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.06 +/- 1.10   0.000% *  0.0932% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.77 +/- 2.00   0.000% *  0.0605% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.95 +/- 1.78   0.000% *  0.0501% (0.35   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.65 +/- 2.48   0.000% *  0.0345% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.10 +/- 1.82   0.000% *  0.0980% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.70 +/- 2.50   0.000% *  0.0301% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.583, support = 1.76, residual support = 4.7:
          HA    LEU   31 - HN    ALA   34   3.17 +/- 0.41  75.600% * 81.9684% (0.60   1.83   4.96) =  93.896%  kept
          HA    THR   77 - HN    LEU   80   4.11 +/- 0.96  24.396% * 16.5112% (0.36   0.62   0.62) =   6.104%  kept
          HA    LEU   31 - HN    LEU   80  18.91 +/- 2.65   0.003% *  1.0814% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.48 +/- 1.00   0.001% *  0.4391% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.682, support = 3.8, residual support = 17.9:
          HB2   ASP-  76 - HN    LEU   80   4.59 +/- 0.79  50.246% * 21.0849% (0.57   2.89   2.43) =  36.206%  kept
          QE    LYS+  33 - HN    ALA   34   5.23 +/- 0.62  26.689% * 39.1261% (0.60   5.14  43.87) =  35.687%  kept
          HB2   ASP-  78 - HN    LEU   80   5.20 +/- 0.70  21.384% * 38.4538% (0.93   3.26   4.81) =  28.102%  kept
          HB2   ASP-  86 - HN    LEU   80   9.04 +/- 0.81   1.008% *  0.0670% (0.26   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    ALA   34   9.69 +/- 0.47   0.473% *  0.1288% (0.51   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    LEU   80  14.61 +/- 2.80   0.074% *  0.1558% (0.61   0.02   0.25) =   0.000%
          HB2   ASN   69 - HN    ALA   34  12.85 +/- 1.19   0.090% *  0.0969% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  19.55 +/- 2.11   0.009% *  0.1840% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.73 +/- 1.26   0.007% *  0.1208% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.74 +/- 1.51   0.008% *  0.0969% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.27 +/- 1.32   0.006% *  0.1172% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  24.25 +/- 1.44   0.002% *  0.1952% (0.77   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  22.33 +/- 2.53   0.004% *  0.0554% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  27.56 +/- 1.66   0.001% *  0.1172% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.31, residual support = 48.0:
          HB2   GLU-  79 - HN    LEU   80   3.16 +/- 0.52  97.637% * 95.2366% (0.46   5.31  48.03) =  99.994%  kept
          HG3   GLU-  36 - HN    ALA   34   7.14 +/- 0.86   2.242% *  0.2079% (0.27   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HN    LEU   80  12.43 +/- 2.25   0.059% *  0.7227% (0.93   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.79 +/- 2.38   0.015% *  0.6395% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  13.63 +/- 2.33   0.030% *  0.2515% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.49 +/- 0.69   0.010% *  0.5975% (0.77   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.87 +/- 1.60   0.002% *  0.2967% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.99 +/- 2.30   0.002% *  0.3031% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.58 +/- 1.82   0.001% *  0.2506% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.84 +/- 1.06   0.001% *  0.2767% (0.36   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.09 +/- 1.38   0.000% *  0.5288% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.74 +/- 0.95   0.000% *  0.2288% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.65 +/- 1.86   0.001% *  0.2079% (0.27   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  27.14 +/- 2.58   0.000% *  0.2515% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.773, support = 6.93, residual support = 43.2:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  74.157% * 92.3115% (0.78  10.0   6.97  43.87) =  98.449%  kept
          HA    GLN   32 - HN    ALA   34   4.64 +/- 0.19  16.844% *  6.3722% (0.22   1.0   4.97   0.02) =   1.544%  kept
          HB2   SER   82 - HN    LEU   80   6.62 +/- 0.84   2.677% *  0.1001% (0.85   1.0   0.02   0.22) =   0.004%
          HA    GLU-  29 - HN    ALA   34   7.14 +/- 0.58   1.489% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.08 +/- 0.53   3.953% *  0.0206% (0.17   1.0   0.02   1.72) =   0.001%
          HA    SER   48 - HN    LEU   80   9.52 +/- 1.85   0.471% *  0.0587% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.02 +/- 1.10   0.197% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  10.63 +/- 0.76   0.125% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.74 +/- 0.97   0.044% *  0.0873% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.67 +/- 1.33   0.009% *  0.1056% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  17.94 +/- 2.44   0.007% *  0.1077% (0.91   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.06 +/- 2.03   0.020% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  22.44 +/- 3.56   0.002% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  23.40 +/- 2.42   0.001% *  0.1116% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  23.41 +/- 1.69   0.001% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.59 +/- 1.91   0.001% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.75 +/- 1.22   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.11 +/- 2.75   0.002% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.98 +/- 1.02   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  25.63 +/- 2.06   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  27.09 +/- 1.76   0.000% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.12 +/- 1.21   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.312, support = 0.0198, residual support = 0.71:
          HN    GLN   30 - HN    ALA   34   6.07 +/- 0.60  75.081% *  3.3143% (0.17  1.00   0.02   1.23) =  56.881%  kept
          HN    GLU-  29 - HN    ALA   34   8.33 +/- 0.55  11.133% * 11.4785% (0.61  1.00   0.02   0.02) =  29.210%  kept
          HN    ASP-  86 - HN    LEU   80   8.43 +/- 0.68  12.368% *  3.7738% (0.20  1.00   0.02   0.02) =  10.669%  kept
          HN    GLU-  29 - HN    LEU   80  15.24 +/- 2.44   0.503% * 10.2810% (0.54  1.00   0.02   0.02) =   1.182%  kept
          HN    VAL   18 - HN    ALA   34  15.21 +/- 1.05   0.356% * 13.7422% (0.72  1.00   0.02   0.02) =   1.117%  kept
          HN    VAL   18 - HN    LEU   80  17.62 +/- 1.07   0.152% * 12.3085% (0.65  1.00   0.02   0.02) =   0.429%
          HN    GLN   30 - HN    LEU   80  15.94 +/- 2.50   0.381% *  2.9685% (0.16  1.00   0.02   0.02) =   0.259%
        T HN    ASP-  86 - HN    ALA   34  23.90 +/- 2.55   0.026% * 42.1332% (0.22 10.00   0.02   0.02) =   0.254%
    Distance limit 3.76 A violated in 19 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.224, support = 0.0199, residual support = 0.653:
          HN    GLN   30 - HN    ALA   34   6.07 +/- 0.60  75.081% *  2.6057% (0.11  1.00   0.02   1.23) =  52.111%  kept
          HN    GLU-  29 - HN    ALA   34   8.33 +/- 0.55  11.133% * 10.1298% (0.41  1.00   0.02   0.02) =  30.039%  kept
          HN    ASP-  86 - HN    LEU   80   8.43 +/- 0.68  12.368% *  4.0782% (0.17  1.00   0.02   0.02) =  13.435%  kept
          HN    GLU-  29 - HN    LEU   80  15.24 +/- 2.44   0.503% * 12.2517% (0.50  1.00   0.02   0.02) =   1.641%  kept
          HN    VAL   18 - HN    ALA   34  15.21 +/- 1.05   0.356% * 15.4172% (0.63  1.00   0.02   0.02) =   1.460%  kept
          HN    VAL   18 - HN    LEU   80  17.62 +/- 1.07   0.152% * 18.6466% (0.76  1.00   0.02   0.02) =   0.757%  kept
          HN    GLN   30 - HN    LEU   80  15.94 +/- 2.50   0.381% *  3.1515% (0.13  1.00   0.02   0.02) =   0.320%
        T HN    ASP-  86 - HN    ALA   34  23.90 +/- 2.55   0.026% * 33.7193% (0.14 10.00   0.02   0.02) =   0.237%
    Distance limit 3.73 A violated in 19 structures by 2.04 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   2.70 +/- 0.06  99.992% * 98.3004% (0.54 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  23.02 +/- 2.57   0.000% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.11 +/- 0.65   0.005% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.25 +/- 2.25   0.001% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  19.50 +/- 2.24   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.30 +/- 1.85   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  31.78 +/- 2.06   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.21 +/- 1.03   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 4.8, residual support = 36.5:
          HN    LYS+  81 - HN    LEU   80   3.97 +/- 0.27  98.407% * 98.5540% (0.94   4.80  36.53) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   9.70 +/- 3.06   1.330% *  0.0639% (0.15   0.02   3.60) =   0.001%
          QD    PHE   60 - HN    LEU   80  13.83 +/- 1.10   0.061% *  0.3715% (0.85   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   34  11.83 +/- 0.51   0.163% *  0.0528% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.40 +/- 1.09   0.024% *  0.3072% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.82 +/- 0.93   0.010% *  0.1408% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  23.69 +/- 3.32   0.003% *  0.3395% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.63 +/- 1.14   0.002% *  0.1703% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.07 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         :     43
 
    Peaks:
      selected                               :   1103
      without assignment                     :     59
      with assignment                        :   1044
      with unique assignment                 :    760
      with multiple assignment               :    284
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    915
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.6
    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 = 0.596, support = 3.31, residual support = 46.4:
      O T HB2   GLU-  14 - HA    GLU-  14   2.91 +/- 0.22  83.350% * 27.7351% (0.39  10.0 10.00   2.96  47.26) =  66.460%  kept
    * O T HG2   MET   11 - HA    MET   11   3.89 +/- 0.33  16.470% * 70.8328% (1.00  10.0 10.00   4.00  44.64) =  33.539%  kept
        T HB2   GLU-  14 - HA    MET   11  10.44 +/- 1.33   0.062% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  11.07 +/- 1.01   0.036% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  11.46 +/- 2.82   0.079% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  18.27 +/- 3.08   0.003% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.15 +/- 1.28   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.79 +/- 1.80   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.59 +/- 1.49   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  37.34 +/- 2.03   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.38 +/- 1.55   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.82 +/- 2.52   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  40.15 +/- 2.62   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.63 +/- 1.81   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.98 +/- 2.71   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  37.43 +/- 2.58   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.708, support = 3.52, residual support = 45.9:
    * O T HG3   MET   11 - HA    MET   11   3.18 +/- 0.63  29.946% * 72.0852% (1.00  10.0 10.00   4.00  44.64) =  53.532%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.58 +/- 0.13  70.024% * 26.7596% (0.37  10.0 10.00   2.96  47.26) =  46.468%  kept
        T HB3   GLU-  14 - HA    MET   11  11.21 +/- 0.73   0.012% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HA    GLU-  14  11.01 +/- 0.89   0.015% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.26 +/- 1.50   0.001% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  15.51 +/- 1.27   0.002% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.65 +/- 2.05   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.84 +/- 0.96   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  21.57 +/- 2.04   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  22.50 +/- 1.40   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  30.77 +/- 1.67   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.91 +/- 1.70   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.49 +/- 1.37   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.53 +/- 1.82   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.63, support = 3.54, residual support = 45.4:
    * O T HA    MET   11 - HG2   MET   11   3.89 +/- 0.33  15.345% * 80.1701% (1.00  10.0 10.00   4.00  44.64) =  55.709%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.91 +/- 0.22  77.100% * 12.3424% (0.15  10.0 10.00   2.96  47.26) =  43.092%  kept
          HA    ALA   12 - HG2   MET   11   5.22 +/- 0.87   4.388% *  6.0267% (0.53   1.0  1.00   2.86  11.95) =   1.198%  kept
        T HA    MET   11 - HB2   GLU-  14  10.44 +/- 1.33   0.056% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   6.94 +/- 1.24   0.833% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  11.07 +/- 1.01   0.033% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   6.02 +/- 0.79   1.699% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   6.86 +/- 0.47   0.525% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.86 +/- 1.54   0.006% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.76 +/- 0.74   0.005% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.77 +/- 2.66   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.70 +/- 0.91   0.004% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.14 +/- 1.64   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.84 +/- 1.28   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.10 +/- 1.74   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.64 +/- 1.92   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  30.23 +/- 1.60   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.57 +/- 1.72   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.63 +/- 2.44   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.37 +/- 2.04   0.001% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.79 +/- 1.80   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  22.11 +/- 1.80   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  33.53 +/- 2.77   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.83 +/- 2.26   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  37.34 +/- 2.03   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.69 +/- 1.06   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  33.01 +/- 1.71   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.87 +/- 1.85   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  32.36 +/- 2.12   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  31.02 +/- 2.37   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  43.07 +/- 2.55   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  32.00 +/- 1.72   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  42.21 +/- 2.99   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  41.02 +/- 2.39   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.10 +/- 1.23   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  33.56 +/- 1.98   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.901, support = 3.29, residual support = 45.0:
    * O T QB    MET   11 - HG2   MET   11   2.22 +/- 0.10  59.187% * 80.4450% (1.00  10.0 10.00   3.31  44.64) =  87.388%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.38 +/- 0.14  40.284% * 17.0553% (0.21  10.0 10.00   3.14  47.26) =  12.610%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.25 +/- 0.59   0.472% *  0.2188% (0.27   1.0 10.00   0.02   0.61) =   0.002%
        T QB    MET   11 - HB2   GLU-  14   9.76 +/- 1.29   0.023% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.60 +/- 1.48   0.013% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.83 +/- 1.08   0.002% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  20.52 +/- 3.42   0.000% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  16.93 +/- 2.44   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.10 +/- 1.52   0.003% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  12.20 +/- 2.04   0.010% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.31 +/- 0.98   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.61 +/- 1.76   0.000% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  14.79 +/- 2.07   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.74 +/- 1.09   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.35 +/- 1.44   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.11 +/- 1.42   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.60 +/- 1.28   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.38 +/- 1.79   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.82 +/- 1.62   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.66 +/- 1.29   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.89 +/- 1.73   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.43 +/- 1.86   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  18.52 +/- 1.20   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.57 +/- 1.66   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.99 +/- 2.00   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.72 +/- 1.56   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  31.88 +/- 2.67   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.75 +/- 2.42   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.95 +/- 2.06   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  36.11 +/- 1.91   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.26 +/- 2.11   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  37.92 +/- 1.95   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  39.86 +/- 2.60   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.3:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.994% * 72.5786% (1.00  10.0 10.00   4.00  44.64) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.995% * 25.7103% (0.35  10.0 10.00   3.00  47.26) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  12.26 +/- 1.07   0.001% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  11.30 +/- 1.68   0.001% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  12.72 +/- 2.08   0.006% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.04 +/- 0.89   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  23.26 +/- 1.75   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.12 +/- 1.16   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.32 +/- 1.48   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  32.25 +/- 1.92   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.47 +/- 2.53   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.24 +/- 2.07   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.25 +/- 1.52   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  22.72 +/- 2.24   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.58 +/- 1.28   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.61 +/- 2.36   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.94 +/- 0.97   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  37.79 +/- 2.15   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.02 +/- 1.97   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  25.59 +/- 1.15   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  39.16 +/- 2.28   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 = 0.785, support = 3.73, residual support = 45.1:
    * O T HA    MET   11 - HG3   MET   11   3.18 +/- 0.63  29.510% * 80.7917% (1.00  10.0 10.00   4.00  44.64) =  74.611%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.58 +/- 0.13  67.150% * 11.7921% (0.15  10.0 10.00   2.96  47.26) =  24.781%  kept
          HA    ALA   12 - HG3   MET   11   4.99 +/- 1.03   3.170% *  6.1307% (0.53   1.0  1.00   2.88  11.95) =   0.608%  kept
        T HA    GLU-  14 - HG3   MET   11  11.01 +/- 0.89   0.014% *  0.3321% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  11.21 +/- 0.73   0.011% *  0.2868% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.52 +/- 0.79   0.141% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  15.04 +/- 1.69   0.003% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.74 +/- 2.26   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  19.73 +/- 1.22   0.000% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.77 +/- 1.07   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  30.15 +/- 1.48   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.31 +/- 1.67   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.20 +/- 1.18   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.57 +/- 2.12   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  21.39 +/- 1.66   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  33.21 +/- 2.64   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  36.61 +/- 2.16   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  32.74 +/- 1.36   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.35 +/- 2.26   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  42.75 +/- 2.54   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  32.20 +/- 1.89   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  32.08 +/- 1.70   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  41.85 +/- 3.04   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  41.03 +/- 2.32   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.822, support = 3.26, residual support = 44.7:
    * O T QB    MET   11 - HG3   MET   11   2.52 +/- 0.09  41.333% * 67.3911% (1.00  10.0 10.00   3.31  44.64) =  77.636%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.39 +/- 0.14  56.455% * 13.5457% (0.20  10.0 10.00   3.14  47.26) =  21.314%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.08 +/- 0.94   2.168% * 17.3737% (0.26   1.0 10.00   2.08   0.61) =   1.050%  kept
        T QG    GLU-  14 - HG3   MET   11   9.43 +/- 1.54   0.023% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14  10.41 +/- 0.93   0.011% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.87 +/- 0.89   0.003% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  20.11 +/- 3.44   0.001% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  17.52 +/- 2.74   0.001% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.69 +/- 1.41   0.005% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  17.17 +/- 1.35   0.000% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.07 +/- 1.35   0.000% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  27.74 +/- 1.52   0.000% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.58 +/- 1.43   0.000% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.01 +/- 1.32   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.56 +/- 1.75   0.000% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  31.58 +/- 2.59   0.000% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  28.36 +/- 1.15   0.000% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.26 +/- 2.01   0.000% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  35.05 +/- 1.66   0.000% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  37.74 +/- 1.81   0.000% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.45 +/- 1.78   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  39.79 +/- 2.47   0.000% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.3:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 71.8618% (1.00  10.0 10.00   4.00  44.64) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.999% * 25.4564% (0.35  10.0 10.00   3.00  47.26) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  11.30 +/- 1.68   0.001% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  12.26 +/- 1.07   0.001% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  12.45 +/- 3.03   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  19.00 +/- 3.17   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  34.12 +/- 1.72   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  40.65 +/- 2.84   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  24.03 +/- 1.63   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.24 +/- 2.07   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  24.66 +/- 1.84   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  37.79 +/- 2.15   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  30.01 +/- 2.83   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  35.23 +/- 1.97   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.35 +/- 2.59   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.11 +/- 2.60   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 = 0.916, support = 3.36, residual support = 44.9:
    * O T HA    MET   11 - QB    MET   11   2.33 +/- 0.14  52.740% * 85.1002% (1.00  10.0 10.00   3.36  44.64) =  90.312%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.49 +/- 0.45  42.381% * 11.3536% (0.13  10.0 10.00   3.37  47.26) =   9.682%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.72 +/- 0.76   1.491% *  0.0843% (0.10   1.0 10.00   0.02   0.61) =   0.003%
          HA    ALA   12 - QB    MET   11   3.98 +/- 0.23   2.622% *  0.0448% (0.53   1.0  1.00   0.02  11.95) =   0.002%
          HA    ALA   12 - QG    GLU-  14   5.47 +/- 1.32   0.643% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.35 +/- 0.77   0.017% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   8.83 +/- 0.98   0.019% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  12.00 +/- 0.78   0.003% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.27 +/- 2.07   0.050% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.25 +/- 0.65   0.017% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.54 +/- 1.36   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.84 +/- 1.76   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.72 +/- 1.53   0.010% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.30 +/- 2.07   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  26.73 +/- 1.33   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  18.28 +/- 2.35   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.42 +/- 1.79   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  29.68 +/- 2.08   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  19.16 +/- 3.27   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  17.98 +/- 1.17   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  18.05 +/- 2.56   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.32 +/- 1.90   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  19.12 +/- 2.61   0.000% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.02 +/- 2.10   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.62 +/- 1.66   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  24.42 +/- 1.69   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.83 +/- 1.14   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  27.97 +/- 1.67   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.61 +/- 1.23   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.67 +/- 1.19   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.61 +/- 1.30   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  20.25 +/- 1.58   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  32.61 +/- 1.65   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  30.20 +/- 1.66   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  28.69 +/- 1.50   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  38.18 +/- 1.95   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  28.30 +/- 1.53   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  28.15 +/- 2.06   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.24 +/- 1.44   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  29.70 +/- 1.98   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  27.93 +/- 1.95   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.99 +/- 1.24   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  37.38 +/- 2.37   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  36.38 +/- 2.03   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  32.87 +/- 2.60   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  30.23 +/- 3.02   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.67 +/- 1.80   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  37.44 +/- 1.68   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.878, support = 3.28, residual support = 45.1:
    * O T HG2   MET   11 - QB    MET   11   2.22 +/- 0.10  59.056% * 73.8446% (1.00  10.0 10.00   3.31  44.64) =  81.932%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.38 +/- 0.14  40.215% * 23.9110% (0.32  10.0 10.00   3.14  47.26) =  18.066%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.25 +/- 0.59   0.470% *  0.1776% (0.24   1.0 10.00   0.02   0.61) =   0.002%
        T HB2   GLU-  14 - QB    MET   11   9.76 +/- 1.29   0.022% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.60 +/- 1.48   0.013% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   7.30 +/- 1.96   0.213% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.83 +/- 1.08   0.002% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  16.93 +/- 2.44   0.001% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  20.52 +/- 3.42   0.000% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  12.10 +/- 2.52   0.005% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  16.53 +/- 2.85   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.37 +/- 1.22   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.35 +/- 1.44   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.62 +/- 1.51   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  25.38 +/- 1.79   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  19.98 +/- 1.61   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  30.08 +/- 1.53   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  33.43 +/- 1.86   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  32.44 +/- 1.87   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.14 +/- 2.45   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.42 +/- 2.01   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.21 +/- 1.97   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  27.91 +/- 2.71   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.22 +/- 2.37   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  22.44 +/- 2.58   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  36.08 +/- 2.50   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  31.26 +/- 1.72   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.53 +/- 2.85   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.82 +/- 2.52   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  36.11 +/- 1.91   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.89 +/- 1.81   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  27.96 +/- 2.23   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 = 3.26, residual support = 45.4:
    * O T HG3   MET   11 - QB    MET   11   2.52 +/- 0.09  41.320% * 75.1074% (1.00  10.0 10.00   3.31  44.64) =  70.452%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.14  56.436% * 23.0568% (0.31  10.0 10.00   3.14  47.26) =  29.540%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.08 +/- 0.94   2.167% *  0.1713% (0.23   1.0 10.00   0.02   0.61) =   0.008%
        T HB3   GLU-  14 - QB    MET   11  10.41 +/- 0.93   0.011% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.43 +/- 1.54   0.023% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.87 +/- 0.89   0.003% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.12 +/- 2.15   0.021% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  17.52 +/- 2.74   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  20.11 +/- 3.44   0.001% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.51 +/- 2.06   0.007% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.58 +/- 1.96   0.003% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.61 +/- 1.97   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.52 +/- 0.65   0.005% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.90 +/- 1.56   0.001% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.30 +/- 1.42   0.001% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.70 +/- 2.24   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.77 +/- 1.50   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.83 +/- 1.93   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  19.96 +/- 1.79   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.26 +/- 1.28   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.65 +/- 1.89   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.17 +/- 1.60   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.99 +/- 1.87   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.42 +/- 1.16   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  28.54 +/- 1.66   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.76 +/- 1.74   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  32.15 +/- 1.76   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.15 +/- 1.32   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.01  99.999% * 99.1918% (0.82  10.0 10.00   2.00  12.50) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  17.10 +/- 2.47   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  19.53 +/- 2.11   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  21.21 +/- 1.59   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.67 +/- 1.11   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.55 +/- 1.47   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  21.20 +/- 1.47   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.47 +/- 1.83   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.66 +/- 3.15   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.71 +/- 2.17   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  30.39 +/- 2.48   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  36.59 +/- 1.76   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.01 +/- 1.59   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.01  96.890% * 99.5569% (0.82  10.0 10.00   2.00  12.50) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.88 +/- 0.22   2.772% *  0.0286% (0.24   1.0  1.00   0.02  11.95) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.67 +/- 0.57   0.338% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.97 +/- 1.31   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.72 +/- 1.29   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  31.45 +/- 2.43   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.95 +/- 1.68   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  32.32 +/- 2.08   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  32.14 +/- 2.00   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.93, support = 2.02, residual support = 10.2:
    * O T QB    SER   13 - HA    SER   13   2.44 +/- 0.13  74.742% * 64.9056% (1.00  10.0 10.00   1.93   7.53) =  85.806%  kept
      O T HB3   SER   37 - HA    SER   37   2.97 +/- 0.15  24.459% * 32.8086% (0.51  10.0 10.00   2.58  26.57) =  14.194%  kept
          HB    THR   39 - HA    SER   37   5.77 +/- 0.93   0.647% *  0.0346% (0.53   1.0  1.00   0.02   2.12) =   0.000%
        T QB    SER   13 - HA    SER   37  13.01 +/- 2.88   0.017% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.23 +/- 1.88   0.004% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.93 +/- 1.50   0.054% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.00 +/- 1.30   0.052% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.20 +/- 1.66   0.005% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.37 +/- 0.88   0.015% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.66 +/- 1.24   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.77 +/- 0.87   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.23 +/- 1.54   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.82 +/- 0.74   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  15.57 +/- 1.99   0.001% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.83 +/- 0.77   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.82 +/- 0.67   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.07 +/- 1.30   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.47 +/- 1.50   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.56 +/- 3.23   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.52 +/- 2.63   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.60 +/- 1.61   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.88 +/- 1.18   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  34.37 +/- 2.18   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.85 +/- 1.30   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 = 0.93, support = 2.03, residual support = 10.3:
    * O T HA    SER   13 - QB    SER   13   2.44 +/- 0.13  74.815% * 63.8850% (1.00  10.0 10.00   1.93   7.53) =  85.235%  kept
      O T HA    SER   37 - HB3   SER   37   2.97 +/- 0.15  24.490% * 33.8056% (0.53  10.0 10.00   2.58  26.57) =  14.764%  kept
          HA    GLU-  15 - QB    SER   13   7.06 +/- 0.65   0.157% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.01 +/- 2.88   0.017% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   5.96 +/- 0.33   0.377% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.00 +/- 0.85   0.073% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.23 +/- 1.88   0.004% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.31 +/- 1.67   0.014% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  11.27 +/- 0.96   0.009% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.24 +/- 1.22   0.038% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.37 +/- 1.99   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.27 +/- 1.32   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.23 +/- 1.54   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.82 +/- 0.74   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  17.49 +/- 2.79   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  21.51 +/- 1.61   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.76 +/- 3.36   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  20.03 +/- 2.14   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.32 +/- 2.13   0.001% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.68 +/- 0.97   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  25.14 +/- 1.44   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.18 +/- 1.12   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.956, support = 3.03, residual support = 47.1:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.91 +/- 0.22  83.347% * 70.8449% (1.00  10.0 10.00   2.96  47.26) =  92.818%  kept
      O T HG2   MET   11 - HA    MET   11   3.89 +/- 0.33  16.469% * 27.7398% (0.39  10.0 10.00   4.00  44.64) =   7.181%  kept
        T HG2   MET   11 - HA    GLU-  14  11.07 +/- 1.01   0.036% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.44 +/- 1.33   0.062% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  11.46 +/- 2.82   0.079% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  17.20 +/- 1.64   0.002% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  18.27 +/- 3.08   0.003% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.15 +/- 1.28   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.79 +/- 1.80   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.38 +/- 1.55   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.00 +/- 2.78   0.001% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.82 +/- 2.52   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.59 +/- 1.49   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  37.34 +/- 2.03   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  40.15 +/- 2.62   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.63 +/- 1.81   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 3.34, residual support = 45.5:
    * O T QG    GLU-  14 - HA    GLU-  14   2.49 +/- 0.45  43.616% * 45.0668% (1.00  10.0 10.00   3.37  47.26) =  76.120%  kept
      O T QB    MET   11 - HA    MET   11   2.33 +/- 0.14  54.770% * 10.0127% (0.22  10.0 10.00   3.36  44.64) =  21.237%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.72 +/- 0.76   1.569% * 43.4925% (0.97   1.0 10.00   2.31   0.61) =   2.643%  kept
        T QB    MET   11 - HA    GLU-  14   9.35 +/- 0.77   0.018% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   8.83 +/- 0.98   0.020% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  12.00 +/- 0.78   0.003% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.32 +/- 1.22   0.003% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  18.05 +/- 1.07   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  27.09 +/- 1.42   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  18.30 +/- 1.59   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.00 +/- 1.29   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.38 +/- 1.41   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  29.51 +/- 0.92   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  22.77 +/- 2.63   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.11 +/- 1.90   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.80 +/- 1.49   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  37.23 +/- 1.52   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  39.21 +/- 2.32   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.972, support = 2.98, residual support = 47.0:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.91 +/- 0.22  78.862% * 81.8173% (1.00  10.0 10.00   2.96  47.26) =  96.746%  kept
      O T HA    MET   11 - HG2   MET   11   3.89 +/- 0.33  15.691% * 12.5960% (0.15  10.0 10.00   4.00  44.64) =   2.963%  kept
          HA    ALA   12 - HG2   MET   11   5.22 +/- 0.87   4.486% *  4.2911% (0.37   1.0  1.00   2.86  11.95) =   0.289%
          HA    ALA   12 - HB2   GLU-  14   6.94 +/- 1.24   0.857% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.44 +/- 1.33   0.058% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  11.07 +/- 1.01   0.033% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.14 +/- 1.64   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.76 +/- 0.74   0.005% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.79 +/- 1.80   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.70 +/- 0.91   0.004% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.53 +/- 1.37   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.84 +/- 1.28   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  32.36 +/- 2.12   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.57 +/- 1.72   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.87 +/- 1.85   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.37 +/- 2.04   0.001% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.45 +/- 0.89   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.79 +/- 2.64   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  33.01 +/- 1.71   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  37.34 +/- 2.03   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  30.23 +/- 1.60   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.60 +/- 2.09   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.69 +/- 1.06   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  33.17 +/- 2.16   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  33.56 +/- 1.98   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.63 +/- 2.44   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  42.21 +/- 2.99   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.83 +/- 2.26   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  43.07 +/- 2.55   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  43.19 +/- 2.76   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.813, support = 3.18, residual support = 46.6:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.38 +/- 0.14  40.274% * 80.2785% (1.00  10.0 10.00   3.14  47.26) =  76.240%  kept
      O T QB    MET   11 - HG2   MET   11   2.22 +/- 0.10  59.177% * 17.0200% (0.21  10.0 10.00   3.31  44.64) =  23.751%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.25 +/- 0.59   0.472% *  0.7747% (0.97   1.0 10.00   0.02   0.61) =   0.009%
        T QB    MET   11 - HB2   GLU-  14   9.76 +/- 1.29   0.023% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.60 +/- 1.48   0.013% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.83 +/- 1.08   0.002% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.10 +/- 1.52   0.003% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  12.03 +/- 2.42   0.033% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.31 +/- 0.98   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.61 +/- 1.76   0.000% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  14.79 +/- 2.07   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  16.47 +/- 1.60   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.74 +/- 1.09   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.35 +/- 1.44   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.38 +/- 1.79   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.57 +/- 1.66   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.66 +/- 1.29   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.11 +/- 1.42   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.72 +/- 1.56   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  23.99 +/- 3.15   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.82 +/- 1.62   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.43 +/- 1.86   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.71 +/- 2.51   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.26 +/- 2.11   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  37.92 +/- 1.95   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  29.64 +/- 0.83   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  39.79 +/- 2.78   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 = 0.876, support = 3.37, residual support = 46.9:
    * O T HA    GLU-  14 - QG    GLU-  14   2.49 +/- 0.45  42.397% * 85.4905% (1.00  10.0 10.00   3.37  47.26) =  85.730%  kept
      O T HA    MET   11 - QB    MET   11   2.33 +/- 0.14  52.785% * 11.4057% (0.13  10.0 10.00   3.36  44.64) =  14.240%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.72 +/- 0.76   1.492% *  0.7522% (0.88   1.0 10.00   0.02   0.61) =   0.027%
          HA    ALA   12 - QB    MET   11   3.98 +/- 0.23   2.625% *  0.0272% (0.32   1.0  1.00   0.02  11.95) =   0.002%
          HA    ALA   12 - QG    GLU-  14   5.47 +/- 1.32   0.643% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - QG    GLU-  14   8.83 +/- 0.98   0.019% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.35 +/- 0.77   0.017% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.25 +/- 0.65   0.017% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  12.00 +/- 0.78   0.003% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.54 +/- 1.36   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.84 +/- 1.76   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.43 +/- 1.71   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.42 +/- 1.79   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.80 +/- 1.88   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  26.73 +/- 1.33   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.32 +/- 1.90   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.83 +/- 1.14   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  24.42 +/- 1.69   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  27.93 +/- 1.95   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  29.70 +/- 1.98   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  29.05 +/- 2.26   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  28.69 +/- 1.50   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  30.20 +/- 1.66   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  28.17 +/- 1.92   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  30.46 +/- 1.97   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.02 +/- 2.10   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  37.38 +/- 2.37   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  32.61 +/- 1.65   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  38.18 +/- 1.95   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  38.27 +/- 2.21   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.17, residual support = 46.8:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.14  56.445% * 74.4402% (1.00  10.0 10.00   3.14  47.26) =  81.626%  kept
      O T HG3   MET   11 - QB    MET   11   2.52 +/- 0.09  41.327% * 22.8520% (0.31  10.0 10.00   3.31  44.64) =  18.346%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.08 +/- 0.94   2.168% *  0.6550% (0.88   1.0 10.00   0.02   0.61) =   0.028%
        T HG3   MET   11 - QG    GLU-  14   9.43 +/- 1.54   0.023% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11  10.41 +/- 0.93   0.011% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.87 +/- 0.89   0.003% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.12 +/- 2.15   0.021% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.61 +/- 1.97   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.90 +/- 1.56   0.001% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.83 +/- 1.93   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.77 +/- 1.50   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.26 +/- 1.28   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.65 +/- 1.89   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.17 +/- 1.60   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.70 +/- 2.24   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.99 +/- 1.87   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  28.54 +/- 1.66   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.76 +/- 1.74   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.998, support = 1.94, residual support = 10.0:
    * O T QG    GLU-  15 - HA    GLU-  15   2.48 +/- 0.57  95.080% * 49.8424% (1.00  10.0 10.00   1.91  10.47) =  95.487%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.23 +/- 0.79   4.656% * 48.1014% (0.97   1.0 10.00   2.64   0.61) =   4.512%  kept
        T QG    GLU-  15 - HA    LEU   40  10.94 +/- 1.97   0.028% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  15   8.31 +/- 1.09   0.111% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.55 +/- 0.69   0.011% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.72 +/- 2.60   0.018% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  10.17 +/- 0.41   0.040% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  16.03 +/- 1.90   0.003% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  12.82 +/- 0.56   0.010% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.20 +/- 0.90   0.005% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  17.37 +/- 2.44   0.002% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.21 +/- 2.03   0.000% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.98 +/- 1.77   0.006% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  21.03 +/- 2.63   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  15.42 +/- 1.01   0.005% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.37 +/- 0.81   0.004% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  16.07 +/- 1.37   0.003% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.22 +/- 1.40   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.71 +/- 0.55   0.013% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.05 +/- 0.97   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  24.35 +/- 0.70   0.000% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  26.55 +/- 0.84   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.38 +/- 2.05   0.001% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.00 +/- 1.69   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  26.43 +/- 1.77   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  27.31 +/- 1.22   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  27.89 +/- 2.04   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 10.5:
    * O T QB    GLU-  15 - HA    GLU-  15   2.43 +/- 0.16  92.279% * 95.2027% (1.00  10.0 10.00   3.00  10.47) =  99.993%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.03 +/- 0.30   0.420% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   68 - HA    GLU-  15   9.51 +/- 2.80   0.185% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HA    ASN   35   5.40 +/- 1.75   6.449% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU-  15   7.38 +/- 0.86   0.165% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.46 +/- 1.33   0.011% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   7.04 +/- 1.32   0.331% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.91 +/- 0.89   0.005% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  10.56 +/- 2.09   0.032% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  15.78 +/- 1.07   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  11.85 +/- 2.14   0.015% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  11.34 +/- 0.95   0.010% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  11.81 +/- 1.31   0.010% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  11.90 +/- 1.43   0.010% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.52 +/- 1.12   0.019% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  12.11 +/- 1.55   0.010% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  10.97 +/- 1.21   0.014% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  14.25 +/- 2.41   0.005% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.12 +/- 0.87   0.020% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.25 +/- 1.99   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.97 +/- 1.34   0.003% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.76 +/- 0.82   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  20.61 +/- 0.68   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.39 +/- 1.98   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.15 +/- 1.80   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.25 +/- 1.63   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.28 +/- 0.73   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.32 +/- 1.49   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.52 +/- 1.35   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.81 +/- 1.96   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.75 +/- 2.16   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.10 +/- 2.00   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.34 +/- 1.32   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.01 +/- 2.07   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  27.85 +/- 2.19   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.65 +/- 2.18   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.995, support = 1.94, residual support = 10.1:
    * O T HA    GLU-  15 - QG    GLU-  15   2.48 +/- 0.57  88.650% * 49.2372% (1.00  10.0 10.00   1.91  10.47) =  95.578%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.23 +/- 0.79   3.981% * 43.3212% (0.88   1.0 10.00   2.64   0.61) =   3.776%  kept
          HA    SER   13 - QG    GLU-  14   4.49 +/- 0.51   5.180% *  5.6756% (0.88   1.0  1.00   2.62   6.72) =   0.644%  kept
          HA    SER   13 - QG    GLU-  15   6.51 +/- 0.86   1.223% *  0.0492% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QG    GLU-  15  10.94 +/- 1.97   0.023% *  0.4658% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   6.81 +/- 0.37   0.309% *  0.0279% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.76 +/- 0.43   0.393% *  0.0119% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   8.75 +/- 0.90   0.142% *  0.0245% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.72 +/- 2.60   0.014% *  0.1096% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  16.03 +/- 1.90   0.003% *  0.4098% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.55 +/- 0.69   0.009% *  0.1187% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.65 +/- 2.29   0.039% *  0.0279% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  13.78 +/- 2.44   0.009% *  0.0245% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  17.37 +/- 2.44   0.002% *  0.0964% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.62 +/- 1.23   0.002% *  0.0491% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  15.06 +/- 1.89   0.005% *  0.0168% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.21 +/- 2.03   0.000% *  0.1123% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  19.45 +/- 1.53   0.001% *  0.0432% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.15 +/- 1.94   0.005% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.12 +/- 2.75   0.003% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  18.98 +/- 1.04   0.001% *  0.0319% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  21.06 +/- 1.81   0.001% *  0.0280% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  21.03 +/- 2.63   0.001% *  0.0264% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.75 +/- 0.95   0.002% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  20.42 +/- 2.01   0.001% *  0.0148% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.69 +/- 1.21   0.001% *  0.0123% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.16 +/- 2.00   0.001% *  0.0059% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  23.06 +/- 1.53   0.000% *  0.0108% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  27.03 +/- 1.59   0.000% *  0.0118% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.35 +/- 2.77   0.000% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  29.40 +/- 1.82   0.000% *  0.0077% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.99 +/- 2.35   0.000% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  30.75 +/- 1.41   0.000% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HB2   GLN   17 - HA    GLN   17   2.52 +/- 0.05  99.354% * 97.7872% (1.00  10.0 10.00   4.00  84.56) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.70 +/- 0.20   0.288% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLN   17   9.87 +/- 2.88   0.168% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   7.58 +/- 0.51   0.148% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.87 +/- 1.76   0.028% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.63 +/- 0.91   0.004% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.49 +/- 1.04   0.005% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.63 +/- 0.27   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.13 +/- 1.21   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.88 +/- 1.32   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  23.04 +/- 1.89   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.72 +/- 1.50   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.6:
    * O T QG    GLN   17 - HA    GLN   17   2.76 +/- 0.47  99.842% * 98.5118% (0.76  10.0 10.00   4.31  84.56) =  99.998%  kept
        T HB    VAL   70 - HA    GLN   17   8.99 +/- 0.92   0.147% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLN   17  16.29 +/- 0.92   0.004% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  16.10 +/- 1.09   0.004% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.89 +/- 1.33   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  19.92 +/- 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 +/- 1.64   0.002% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.203, support = 3.56, residual support = 51.6:
    * O T HA    GLN   17 - HB2   GLN   17   2.52 +/- 0.05  43.798% * 57.9333% (0.24  10.0 10.00   4.00  84.56) =  55.544%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.43 +/- 0.16  55.152% * 36.8149% (0.15  10.0 10.00   3.00  10.47) =  44.447%  kept
        T HA    GLN   17 - HB3   PRO   68   9.87 +/- 2.88   0.078% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB3   PRO   68   9.51 +/- 2.80   0.102% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    GLU-  15   6.70 +/- 0.20   0.127% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   GLN   17   6.03 +/- 0.30   0.243% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    GLU-  15   5.59 +/- 0.46   0.450% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.46 +/- 1.33   0.006% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.91 +/- 0.89   0.003% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  10.86 +/- 2.00   0.015% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  13.43 +/- 3.18   0.009% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.59 +/- 0.99   0.005% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  15.78 +/- 1.07   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  15.98 +/- 2.11   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.55 +/- 0.99   0.001% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.27 +/- 0.81   0.002% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.83 +/- 1.43   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  13.89 +/- 1.39   0.002% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.19 +/- 0.72   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  15.75 +/- 1.46   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  17.91 +/- 1.61   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.71 +/- 1.19   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  21.81 +/- 1.29   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.45 +/- 0.95   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   2.39 +/- 0.13  98.305% * 84.9728% (0.18  10.0 10.00   4.31  84.56) =  99.976%  kept
        T QG    GLN   17 - QB    GLU-  15   5.30 +/- 0.65   1.248% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLN   17 - HB3   PRO   68   9.49 +/- 2.97   0.150% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   70 - HB3   PRO   68   7.45 +/- 0.91   0.135% *  2.3301% (0.51   1.0 10.00   0.02   1.07) =   0.004%
        T HB    VAL   70 - QB    GLU-  15   7.52 +/- 0.76   0.138% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   GLN   17  10.92 +/- 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  16.73 +/- 2.25   0.001% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.70 +/- 1.34   0.002% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  19.40 +/- 0.93   0.000% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  18.88 +/- 0.40   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  17.66 +/- 3.06   0.003% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.11 +/- 1.25   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.44 +/- 1.29   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.76 +/- 0.91   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.43 +/- 1.48   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  15.33 +/- 1.38   0.002% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.39 +/- 0.86   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.40 +/- 0.84   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  18.99 +/- 1.45   0.000% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  24.18 +/- 1.84   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.14 +/- 1.54   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   2.76 +/- 0.47  75.554% * 99.2429% (0.76  10.0 10.00   4.31  84.56) =  99.982%  kept
          HA    GLU-  15 - QG    GLN   17   4.24 +/- 0.98  23.610% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.018%
        T HA    GLN   17 - HB    VAL   70   8.99 +/- 0.92   0.076% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   9.18 +/- 1.44   0.144% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.81 +/- 0.33   0.360% *  0.0076% (0.06   1.0  1.00   0.02  35.81) =   0.000%
          HA    VAL   42 - HB    VAL   70   8.26 +/- 0.58   0.106% *  0.0123% (0.09   1.0  1.00   0.02   1.19) =   0.000%
          HA    GLU-  15 - HB    VAL   70   8.84 +/- 0.89   0.100% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.36 +/- 1.99   0.005% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.19 +/- 1.02   0.008% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.99 +/- 1.57   0.007% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.43 +/- 1.16   0.003% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  13.95 +/- 1.40   0.007% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.44 +/- 0.85   0.010% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.31 +/- 1.26   0.006% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  15.14 +/- 1.32   0.003% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.94 +/- 0.99   0.001% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.5:
    * O T HB2   GLN   17 - QG    GLN   17   2.39 +/- 0.13  97.040% * 95.9708% (0.76  10.0 10.00   4.31  84.56) =  99.985%  kept
        T QB    GLU-  15 - QG    GLN   17   5.30 +/- 0.65   1.226% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - QG    GLN   17   9.49 +/- 2.97   0.149% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    GLU-  15 - HB    VAL   70   7.52 +/- 0.76   0.136% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLN   17   7.02 +/- 1.37   0.435% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.45 +/- 0.91   0.132% *  0.1574% (0.13   1.0 10.00   0.02   1.07) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.79 +/- 1.70   0.769% *  0.0096% (0.08   1.0  1.00   0.02   1.07) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  10.92 +/- 0.73   0.012% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.55 +/- 2.06   0.030% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.59 +/- 1.21   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  12.12 +/- 1.79   0.011% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   9.66 +/- 0.91   0.026% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.22 +/- 1.43   0.005% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.30 +/- 1.70   0.010% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  19.25 +/- 1.63   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.84 +/- 0.58   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.41 +/- 1.29   0.004% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.45 +/- 1.10   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.91 +/- 1.00   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.35 +/- 2.23   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.75 +/- 1.77   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.26 +/- 1.09   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  17.01 +/- 1.82   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.60 +/- 2.13   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 = 77.4:
    * O T HB    VAL   18 - HA    VAL   18   2.71 +/- 0.30  99.750% * 99.6862% (1.00  10.0 10.00   3.44  77.43) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   8.02 +/- 1.25   0.226% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  11.73 +/- 0.69   0.019% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  16.56 +/- 0.91   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.37 +/- 1.00   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.96 +/- 1.27   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.4:
    * O T QG1   VAL   18 - HA    VAL   18   2.61 +/- 0.23  98.395% * 98.7319% (1.00  10.0 10.00   4.00  77.43) =  99.996%  kept
        T QG1   VAL   70 - HA    VAL   18   8.30 +/- 1.14   0.297% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    VAL   18   6.71 +/- 1.34   1.093% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   8.42 +/- 1.28   0.177% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.43 +/- 2.07   0.008% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  16.70 +/- 2.46   0.029% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.26 +/- 1.10   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.0, residual support = 77.0:
    * O T QG2   VAL   18 - HA    VAL   18   2.57 +/- 0.53  95.099% * 85.6783% (1.00  10.0 10.00   4.00  77.43) =  99.271%  kept
          QD1   ILE   19 - HA    VAL   18   5.52 +/- 0.97   4.594% * 12.9997% (0.73   1.0  1.00   4.18  22.63) =   0.728%  kept
        T QG1   VAL   41 - HA    VAL   18   9.25 +/- 1.39   0.116% *  0.6548% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    VAL   18   8.86 +/- 0.66   0.122% *  0.0791% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.85 +/- 0.92   0.051% *  0.0840% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  14.84 +/- 1.17   0.005% *  0.4851% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.97 +/- 0.96   0.012% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.4:
    * O T HA    VAL   18 - HB    VAL   18   2.71 +/- 0.30  99.964% * 99.3791% (1.00  10.0 10.00   3.44  77.43) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.04 +/- 1.08   0.024% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.79 +/- 1.76   0.004% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.45 +/- 0.72   0.002% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.42 +/- 0.98   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  17.46 +/- 1.47   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.23 +/- 1.39   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.75 +/- 1.81   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.87 +/- 1.02   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.26 +/- 0.82   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.4:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.872% * 99.5994% (1.00  10.0 10.00   3.44  77.43) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   18   8.68 +/- 1.47   0.052% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   8.60 +/- 1.62   0.049% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.72 +/- 1.40   0.019% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  13.66 +/- 2.26   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.35 +/- 2.60   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.50 +/- 1.85   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 77.4:
    * O T QG2   VAL   18 - HB    VAL   18   2.11 +/- 0.02  99.833% * 98.4101% (1.00  10.0 10.00   3.26  77.43) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   7.13 +/- 0.83   0.113% *  0.0715% (0.73   1.0  1.00   0.02  22.63) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  10.96 +/- 1.64   0.008% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.61 +/- 0.95   0.028% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.70 +/- 1.21   0.016% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.11 +/- 1.61   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.68 +/- 1.20   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.4:
    * O T HA    VAL   18 - QG1   VAL   18   2.61 +/- 0.23  99.914% * 97.2871% (1.00  10.0 10.00   4.00  77.43) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.58 +/- 0.75   0.044% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  12.25 +/- 1.44   0.016% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.02 +/- 1.23   0.002% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.12 +/- 0.60   0.007% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.70 +/- 0.79   0.005% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  15.18 +/- 1.27   0.003% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.64 +/- 0.84   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  14.32 +/- 1.45   0.005% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.98 +/- 0.64   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.4:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.953% * 99.6862% (1.00  10.0 10.00   3.44  77.43) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.66 +/- 1.28   0.038% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.45 +/- 0.98   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  14.25 +/- 1.05   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  13.24 +/- 1.01   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  14.08 +/- 1.11   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 = 77.4:
    * O T QG2   VAL   18 - QG1   VAL   18   2.06 +/- 0.04  99.149% * 98.4101% (1.00  10.0 10.00   4.00  77.43) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.23 +/- 0.48   0.519% *  0.0715% (0.73   1.0  1.00   0.02  22.63) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   8.48 +/- 1.21   0.031% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG1   VAL   18   6.20 +/- 0.78   0.197% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.00 +/- 0.95   0.098% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.22 +/- 1.32   0.002% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.90 +/- 1.01   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.4:
    * O T HA    VAL   18 - QG2   VAL   18   2.57 +/- 0.53  97.729% * 97.9277% (1.00  10.0 10.00   4.00  77.43) =  99.998%  kept
        T HA    VAL   18 - QG1   VAL   41   9.25 +/- 1.39   0.115% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QG1   VAL   41   6.41 +/- 0.49   0.910% *  0.0514% (0.52   1.0  1.00   0.02   2.72) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.19 +/- 0.58   0.410% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.84 +/- 0.54   0.487% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   8.64 +/- 0.77   0.136% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.31 +/- 0.93   0.054% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.65 +/- 1.57   0.016% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  14.84 +/- 1.17   0.006% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.88 +/- 0.99   0.072% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.75 +/- 0.58   0.005% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.86 +/- 0.75   0.004% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.95 +/- 1.20   0.006% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  14.10 +/- 1.56   0.009% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.36 +/- 1.35   0.002% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.70 +/- 1.06   0.002% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  15.94 +/- 0.89   0.003% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  18.10 +/- 2.57   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.03 +/- 0.73   0.007% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  13.79 +/- 0.81   0.008% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.01 +/- 1.25   0.010% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.87 +/- 0.64   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.73 +/- 0.78   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.99 +/- 1.13   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  20.61 +/- 1.20   0.001% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.51 +/- 0.85   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  23.11 +/- 2.97   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.36 +/- 1.20   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  23.17 +/- 1.67   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.91 +/- 1.12   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 77.4:
    * O T HB    VAL   18 - QG2   VAL   18   2.11 +/- 0.02  99.286% * 98.5012% (1.00  10.0 10.00   3.26  77.43) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.45 +/- 0.29   0.360% *  0.0257% (0.26   1.0  1.00   0.02  20.83) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  10.96 +/- 1.64   0.008% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.40 +/- 0.91   0.070% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.52 +/- 1.15   0.246% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.83 +/- 0.49   0.010% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  11.79 +/- 0.94   0.004% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.37 +/- 0.95   0.005% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.48 +/- 1.06   0.002% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.17 +/- 1.07   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.11 +/- 1.61   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.80 +/- 1.29   0.004% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.34 +/- 0.79   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.36 +/- 0.92   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.60 +/- 0.77   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.55 +/- 0.89   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.85 +/- 1.33   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  22.88 +/- 1.00   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.984, support = 4.03, residual support = 79.8:
    * O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.04  79.007% * 90.9635% (1.00  10.0 10.00   4.00  77.43) =  98.316%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.70 +/- 0.27  18.061% *  6.8036% (0.07  10.0 10.00   5.50 220.68) =   1.681%  kept
          QD1   LEU   71 - QG1   VAL   41   4.83 +/- 1.36   2.290% *  0.0581% (0.64   1.0  1.00   0.02   3.03) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41   8.48 +/- 1.21   0.024% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   6.71 +/- 1.11   0.169% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.30 +/- 0.49   0.113% *  0.0681% (0.75   1.0  1.00   0.02   2.72) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.10 +/- 1.34   0.083% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.25 +/- 0.89   0.011% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.39 +/- 0.86   0.048% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.11 +/- 2.22   0.066% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.63 +/- 1.28   0.057% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.14 +/- 1.76   0.040% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.09 +/- 1.74   0.005% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.38 +/- 0.74   0.005% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.17 +/- 0.91   0.001% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.22 +/- 1.32   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.23 +/- 1.93   0.003% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.90 +/- 1.68   0.009% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.57 +/- 1.05   0.003% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.28 +/- 1.08   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.01 +/- 0.49   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 = 172.0:
    * O T HB    ILE   19 - HA    ILE   19   2.89 +/- 0.10  97.918% * 98.7896% (1.00  10.0 10.00   5.75 172.03) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.62 +/- 0.35   1.929% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.80 +/- 0.44   0.130% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.34 +/- 0.22   0.007% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.18 +/- 1.17   0.005% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.56 +/- 2.17   0.009% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.72 +/- 1.33   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.12 +/- 1.10   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.12 +/- 1.05   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.89 +/- 1.77   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.0:
    * O T HG12  ILE   19 - HA    ILE   19   2.58 +/- 0.76  96.384% * 98.1529% (1.00  10.0 10.00   6.31 172.03) =  99.995%  kept
        T HG    LEU   73 - HA    ILE   19   7.48 +/- 0.95   1.004% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - HA    ILE   19   6.12 +/- 0.90   2.436% *  0.0556% (0.57   1.0  1.00   0.02   8.32) =   0.001%
          QB    ALA   61 - HA    ILE   19  10.89 +/- 1.20   0.096% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  15.94 +/- 2.72   0.008% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  11.97 +/- 1.36   0.039% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.95 +/- 1.18   0.010% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  15.84 +/- 1.78   0.006% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  13.57 +/- 1.07   0.014% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  19.29 +/- 1.99   0.002% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.52 +/- 2.40   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.42 +/- 1.23   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.0:
    * O T HG13  ILE   19 - HA    ILE   19   2.99 +/- 0.52  98.362% * 98.2804% (1.00  10.0 10.00   5.75 172.03) =  99.992%  kept
        T HG    LEU   71 - HA    ILE   19   8.31 +/- 1.79   0.787% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+  74 - HA    ILE   19   8.33 +/- 0.82   0.302% *  0.0907% (0.92   1.0  1.00   0.02   8.32) =   0.000%
          QG2   THR   39 - HA    ILE   19   9.85 +/- 0.88   0.142% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.02 +/- 1.20   0.290% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  17.98 +/- 3.60   0.098% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  15.39 +/- 1.59   0.009% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  17.22 +/- 1.01   0.005% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.96 +/- 1.29   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  21.28 +/- 1.56   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.60 +/- 1.71   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 = 4.79, residual support = 170.4:
    *   T QD1   ILE   19 - HA    ILE   19   3.07 +/- 0.18  93.913% * 84.6061% (1.00 10.00   4.78 172.03) =  98.910%  kept
          QG2   VAL   18 - HA    ILE   19   5.06 +/- 0.46   5.774% * 15.1575% (0.73  1.00   4.93  22.63) =   1.089%  kept
          QG2   THR   46 - HA    ILE   19  10.57 +/- 1.05   0.076% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19   9.87 +/- 0.75   0.093% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19   9.97 +/- 1.62   0.130% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  16.92 +/- 1.28   0.004% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.43 +/- 0.93   0.009% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.20 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.0:
    * O T HA    ILE   19 - HB    ILE   19   2.89 +/- 0.10  99.919% * 98.6066% (1.00  10.0 10.00   5.75 172.03) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.40 +/- 0.85   0.012% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19  10.17 +/- 0.76   0.067% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  21.82 +/- 1.98   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.66 +/- 1.58   0.002% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.27, residual support = 170.7:
    * O T HG12  ILE   19 - HB    ILE   19   2.62 +/- 0.27  95.177% * 84.0149% (1.00  10.0 10.00   5.31 172.03) =  99.232%  kept
        T HG    LEU   73 - HB    ILE   19   5.30 +/- 1.06   4.372% * 14.1415% (0.34   1.0 10.00   0.99   4.00) =   0.767%  kept
        T HB3   LEU   67 - HB    ILE   19  10.67 +/- 1.34   0.033% *  0.6101% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    ILE   19   6.98 +/- 0.87   0.366% *  0.0476% (0.57   1.0  1.00   0.02   8.32) =   0.000%
        T HG    LEU   80 - HB    ILE   19  16.14 +/- 3.36   0.004% *  0.8235% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  11.46 +/- 1.03   0.018% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  11.25 +/- 1.18   0.021% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  16.07 +/- 2.33   0.003% *  0.0642% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.48 +/- 1.09   0.004% *  0.0442% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  18.88 +/- 1.75   0.001% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.68 +/- 2.29   0.001% *  0.0510% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.74 +/- 1.27   0.001% *  0.0209% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.0:
    * O T HG13  ILE   19 - HB    ILE   19   2.47 +/- 0.30  94.961% * 97.6364% (1.00  10.0 10.00   5.00 172.03) =  99.956%  kept
        T HG    LEU   71 - HB    ILE   19   6.07 +/- 2.02   4.514% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.043%
        T HG2   LYS+  74 - HB    ILE   19   8.89 +/- 0.88   0.078% *  0.9013% (0.92   1.0 10.00   0.02   8.32) =   0.001%
          QG2   THR   39 - HB    ILE   19   7.90 +/- 0.90   0.124% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   7.80 +/- 1.11   0.254% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  15.54 +/- 3.31   0.062% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.33 +/- 1.26   0.002% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  15.18 +/- 1.63   0.003% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  17.24 +/- 0.98   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.61 +/- 1.88   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  20.75 +/- 1.82   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 172.0:
    * O T QD1   ILE   19 - HB    ILE   19   2.90 +/- 0.30  95.720% * 99.6493% (1.00  10.0 10.00   4.05 172.03) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.61 +/- 0.38   2.305% *  0.0724% (0.73   1.0  1.00   0.02  22.63) =   0.002%
          QG1   VAL   41 - HB    ILE   19   7.71 +/- 1.62   1.598% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB    ILE   19   8.20 +/- 1.01   0.309% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  11.13 +/- 1.06   0.039% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  14.80 +/- 1.30   0.008% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.32 +/- 1.04   0.021% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.0:
    * O T HA    ILE   19 - HG12  ILE   19   2.58 +/- 0.76  97.520% * 98.8520% (1.00  10.0 10.00   6.31 172.03) =  99.996%  kept
        T HA    ILE   19 - HG    LEU   73   7.48 +/- 0.95   1.007% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.003%
          HA    GLU-  25 - HG    LEU   80  10.27 +/- 4.65   0.449% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   7.11 +/- 0.54   0.686% *  0.0152% (0.15   1.0  1.00   0.02   0.22) =   0.000%
        T HA    ILE   19 - HG    LEU   80  15.94 +/- 2.72   0.008% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.39 +/- 0.67   0.052% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  11.02 +/- 0.59   0.049% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.88 +/- 0.78   0.133% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.70 +/- 0.51   0.009% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  12.02 +/- 3.95   0.077% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  20.08 +/- 1.84   0.002% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  16.75 +/- 1.00   0.004% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  18.62 +/- 2.09   0.002% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  19.23 +/- 2.00   0.002% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  23.32 +/- 1.66   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 172.0:
    * O T HB    ILE   19 - HG12  ILE   19   2.62 +/- 0.27  94.137% * 98.3572% (1.00  10.0 10.00   5.31 172.03) =  99.984%  kept
        T HB    ILE   19 - HG    LEU   73   5.30 +/- 1.06   4.349% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.015%
          HB2   GLN   17 - HG12  ILE   19   6.41 +/- 0.77   0.796% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   9.47 +/- 4.00   0.445% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.56 +/- 0.58   0.195% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  16.14 +/- 3.36   0.004% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  14.02 +/- 1.54   0.005% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.33 +/- 0.75   0.018% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.65 +/- 1.11   0.018% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.95 +/- 0.46   0.003% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.55 +/- 0.88   0.009% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.45 +/- 2.00   0.009% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.27 +/- 1.14   0.003% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.56 +/- 1.96   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  22.18 +/- 1.88   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.53 +/- 1.30   0.003% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  19.90 +/- 1.87   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.64 +/- 1.11   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  23.06 +/- 3.14   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  21.32 +/- 1.26   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.84 +/- 1.90   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  22.26 +/- 2.54   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  20.74 +/- 1.84   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.91 +/- 0.83   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.63 +/- 2.24   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  25.57 +/- 3.48   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  23.97 +/- 3.11   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  28.22 +/- 3.00   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  25.03 +/- 1.51   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  28.16 +/- 2.98   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 172.0:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.173% * 96.9096% (1.00  10.0 10.00   5.31 172.03) =  99.994%  kept
        T HG    LEU   71 - HG12  ILE   19   6.58 +/- 1.55   0.568% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   71 - HG    LEU   73   7.31 +/- 1.88   0.078% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   7.36 +/- 1.14   0.046% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.43 +/- 1.17   0.013% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.23 +/- 0.86   0.070% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.96 +/- 1.12   0.017% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19  10.17 +/- 0.96   0.003% *  0.0895% (0.92   1.0  1.00   0.02   8.32) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.51 +/- 0.72   0.009% *  0.0292% (0.30   1.0  1.00   0.02  40.74) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.90 +/- 1.35   0.012% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.21 +/- 3.50   0.003% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.12 +/- 2.84   0.002% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  17.70 +/- 3.14   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.03 +/- 1.76   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  20.47 +/- 3.89   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  14.70 +/- 2.29   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.62 +/- 1.10   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.74 +/- 1.01   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.65 +/- 2.07   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.05 +/- 1.16   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  16.42 +/- 1.92   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.38 +/- 1.34   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.50 +/- 1.08   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  16.76 +/- 2.15   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  19.53 +/- 3.29   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  16.58 +/- 3.98   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  17.12 +/- 1.53   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  22.66 +/- 1.80   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  26.53 +/- 4.84   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  27.47 +/- 5.28   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.08 +/- 2.07   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.39 +/- 2.31   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.95 +/- 3.35   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 172.0:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  91.601% * 98.4260% (1.00  10.0 10.00   4.15 172.03) =  99.997%  kept
        T QD1   ILE   19 - HG    LEU   73   6.33 +/- 1.11   0.436% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.002%
          QG1   VAL   43 - HG    LEU   73   3.94 +/- 0.92   6.228% *  0.0156% (0.16   1.0  1.00   0.02   8.05) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   6.20 +/- 0.55   0.209% *  0.0715% (0.73   1.0  1.00   0.02  22.63) =   0.000%
          QG1   VAL   41 - HG    LEU   73   5.24 +/- 0.96   1.137% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.07 +/- 2.05   0.175% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.00 +/- 0.76   0.103% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  14.24 +/- 2.72   0.002% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19  10.00 +/- 1.35   0.016% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   9.42 +/- 1.20   0.019% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.93 +/- 1.58   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80  11.54 +/- 3.95   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  12.21 +/- 1.06   0.003% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.15 +/- 0.73   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.54 +/- 1.00   0.031% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  11.85 +/- 0.85   0.004% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.15 +/- 2.23   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  16.58 +/- 4.37   0.001% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  13.89 +/- 2.07   0.002% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.88 +/- 3.71   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  21.58 +/- 3.88   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.0:
    * O T HA    ILE   19 - HG13  ILE   19   2.99 +/- 0.52  99.093% * 98.6722% (1.00  10.0 10.00   5.75 172.03) =  99.999%  kept
        T HA    ILE   19 - HG    LEU   71   8.31 +/- 1.79   0.791% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG13  ILE   19  11.08 +/- 0.75   0.070% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  20.21 +/- 1.82   0.002% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.74 +/- 0.64   0.012% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.40 +/- 1.53   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  13.11 +/- 2.39   0.024% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  16.03 +/- 1.98   0.006% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  23.53 +/- 1.79   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  25.63 +/- 2.37   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.0:
    * O T HB    ILE   19 - HG13  ILE   19   2.47 +/- 0.30  92.948% * 98.7569% (1.00  10.0 10.00   5.00 172.03) =  99.992%  kept
        T HB    ILE   19 - HG    LEU   71   6.07 +/- 2.02   4.508% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - HG13  ILE   19   6.57 +/- 0.83   0.780% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE   19   7.20 +/- 0.48   0.202% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.18 +/- 1.87   0.985% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.93 +/- 2.40   0.429% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.75 +/- 1.51   0.005% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.03 +/- 2.03   0.095% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  10.48 +/- 1.52   0.033% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.21 +/- 2.12   0.009% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.08 +/- 0.57   0.002% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.55 +/- 2.06   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  22.04 +/- 1.73   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.32 +/- 3.31   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  21.37 +/- 1.56   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  17.16 +/- 2.12   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.75 +/- 1.69   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.41 +/- 2.53   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.71 +/- 2.64   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.18 +/- 1.89   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 = 172.0:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.239% * 97.7565% (1.00  10.0 10.00   5.31 172.03) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   6.58 +/- 1.55   0.568% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG13  ILE   19   7.36 +/- 1.14   0.046% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
        T HG    LEU   73 - HG    LEU   71   7.31 +/- 1.88   0.078% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.45 +/- 1.02   0.012% *  0.0553% (0.57   1.0  1.00   0.02   8.32) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.61 +/- 1.54   0.042% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.92 +/- 1.65   0.003% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  17.70 +/- 3.14   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.95 +/- 1.58   0.002% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  12.59 +/- 1.58   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.62 +/- 0.78   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.66 +/- 1.34   0.000% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.55 +/- 2.12   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.06 +/- 1.44   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  20.47 +/- 3.89   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  17.73 +/- 2.11   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.38 +/- 1.14   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  20.25 +/- 1.92   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.75 +/- 2.72   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  17.27 +/- 3.23   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.90 +/- 1.63   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.13 +/- 1.83   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  20.41 +/- 2.84   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.48 +/- 1.66   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 172.0:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.01  93.271% * 99.4572% (1.00  10.0 10.00   4.05 172.03) =  99.993%  kept
        T QD1   ILE   19 - HG    LEU   71   5.32 +/- 1.56   4.249% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   41 - HG13  ILE   19   8.68 +/- 1.97   1.239% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG13  ILE   19   6.25 +/- 0.68   0.198% *  0.0722% (0.73   1.0  1.00   0.02  22.63) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.92 +/- 1.29   0.937% *  0.0044% (0.04   1.0  1.00   0.02   3.03) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   9.89 +/- 1.16   0.015% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.61 +/- 1.01   0.035% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.05 +/- 2.00   0.022% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  12.44 +/- 1.12   0.003% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   9.05 +/- 1.03   0.022% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.76 +/- 1.75   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.60 +/- 1.31   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.90 +/- 0.85   0.007% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.79 +/- 0.92   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 172.0:
    *   T HA    ILE   19 - QD1   ILE   19   3.07 +/- 0.18  99.530% * 99.7561% (1.00 10.00   4.78 172.03) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   7.98 +/- 0.91   0.418% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.26 +/- 0.76   0.047% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.75 +/- 1.35   0.003% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  19.16 +/- 1.56   0.002% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 4.05, residual support = 172.0:
    * O T HB    ILE   19 - QD1   ILE   19   2.90 +/- 0.30  97.920% * 99.4654% (1.00  10.0 10.00   4.05 172.03) =  99.999%  kept
          QB    GLU-  15 - QD1   ILE   19   6.75 +/- 1.05   1.002% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE   19   6.59 +/- 0.96   0.998% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.49 +/- 0.96   0.035% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.70 +/- 1.31   0.018% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  12.27 +/- 1.56   0.023% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.20 +/- 1.37   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  19.09 +/- 1.31   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  19.21 +/- 1.43   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.24 +/- 1.74   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 172.0:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  99.440% * 97.8860% (1.00  10.0 10.00   4.15 172.03) =  99.998%  kept
        T HG    LEU   73 - QD1   ILE   19   6.33 +/- 1.11   0.449% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.002%
          HB3   LYS+  74 - QD1   ILE   19   7.38 +/- 0.62   0.073% *  0.0554% (0.57   1.0  1.00   0.02   8.32) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  10.66 +/- 1.15   0.009% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  14.24 +/- 2.72   0.002% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  10.34 +/- 1.53   0.014% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  11.08 +/- 1.23   0.008% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  14.44 +/- 1.77   0.001% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  13.51 +/- 1.28   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.64 +/- 1.66   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.29 +/- 2.31   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.57 +/- 1.46   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 172.0:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  94.979% * 98.6077% (1.00  10.0 10.00   4.05 172.03) =  99.959%  kept
        T HG    LEU   71 - QD1   ILE   19   5.32 +/- 1.56   4.267% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.040%
          QG2   THR   39 - QD1   ILE   19   6.88 +/- 1.18   0.202% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  12.94 +/- 3.28   0.238% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.81 +/- 1.21   0.293% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   9.22 +/- 0.53   0.017% *  0.0910% (0.92   1.0  1.00   0.02   8.32) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.64 +/- 1.53   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  15.98 +/- 0.77   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.56 +/- 1.55   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  19.04 +/- 1.33   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.79 +/- 1.81   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.11 +/- 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  14.37 +/- 0.67   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.31 +/- 0.73   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  19.05 +/- 1.76   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.23 +/- 1.37   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.13 +/- 1.05   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  24.82 +/- 1.92   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.11 +/- 0.00  99.989% * 99.9427% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.75 +/- 0.62   0.011% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.60 +/- 0.80   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.55, residual support = 28.3:
    * O T HB2   CYS   21 - HA    CYS   21   2.82 +/- 0.31  99.993% * 99.9059% (1.00  10.0 10.00   2.55  28.33) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  14.47 +/- 0.77   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.78 +/- 1.54   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.54, residual support = 28.3:
    * O T HB3   CYS   21 - HA    CYS   21   2.53 +/- 0.14  99.998% * 99.9348% (0.69  10.0 10.00   2.54  28.33) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.95 +/- 1.08   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.35, residual support = 28.3:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.35  28.33) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.41 +/- 1.15   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 = 28.3:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.35  28.33) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  13.28 +/- 1.14   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.71 +/- 1.69   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.5:
    * O T HB2   HIS   22 - HA    HIS   22   2.69 +/- 0.31  99.999% * 99.8331% (0.76  10.0 10.00   2.33  34.49) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.72 +/- 0.94   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  22.23 +/- 1.93   0.000% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HB3   HIS   22 - HA    HIS   22   2.76 +/- 0.30  99.999% * 99.9165% (0.95  10.0 10.00   3.46  34.49) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  22.44 +/- 2.07   0.001% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.5:
    * O T HA    HIS   22 - HB2   HIS   22   2.69 +/- 0.31  99.991% * 99.7956% (0.76  10.0 10.00   2.33  34.49) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.57 +/- 0.66   0.008% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  22.13 +/- 1.36   0.000% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * 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  24.70 +/- 2.44   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HA    HIS   22 - HB3   HIS   22   2.76 +/- 0.30  99.991% * 99.7956% (0.95  10.0 10.00   3.46  34.49) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.69 +/- 0.65   0.009% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.17 +/- 1.26   0.000% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.49) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.81 +/- 0.88   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  22.67 +/- 2.27   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 18.7:
    * O T QG2   THR   23 - HA    THR   23   2.89 +/- 0.35  99.408% * 99.3383% (0.80  10.0 10.00   3.25  18.75) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   7.93 +/- 1.09   0.543% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  12.93 +/- 1.48   0.018% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  12.64 +/- 0.73   0.019% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  15.54 +/- 1.33   0.006% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  15.58 +/- 1.54   0.005% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.83 +/- 2.57   0.001% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.474, support = 3.25, residual support = 18.7:
      O   HB    THR   23 - QG2   THR   23   2.14 +/- 0.00  82.154% * 25.6645% (0.28  10.0  1.00   3.25  18.75) =  62.594%  kept
    * O T HA    THR   23 - QG2   THR   23   2.89 +/- 0.35  17.046% * 73.9129% (0.80  10.0 10.00   3.25  18.75) =  37.405%  kept
          HA    LEU   80 - QG2   THR   23   6.63 +/- 3.07   0.672% *  0.0379% (0.41   1.0  1.00   0.02   1.27) =   0.001%
          HA    ASP-  78 - QG2   THR   23   9.66 +/- 1.43   0.014% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   8.26 +/- 2.26   0.106% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  12.93 +/- 1.48   0.002% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  15.54 +/- 1.33   0.001% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.01 +/- 1.36   0.004% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  14.06 +/- 1.91   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.91 +/- 1.19   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.16 +/- 0.83   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  20.90 +/- 2.22   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 = 3.41, residual support = 65.6:
    * O T QG1   VAL   24 - HA    VAL   24   2.52 +/- 0.56  99.937% * 99.7332% (1.00  10.0 10.00   3.41  65.60) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.56 +/- 0.31   0.059% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  16.07 +/- 1.02   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  21.70 +/- 1.60   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  26.64 +/- 1.42   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.12 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 65.6:
    * O T HA    VAL   24 - QG1   VAL   24   2.52 +/- 0.56  99.995% * 99.8757% (1.00  10.0 10.00   3.41  65.60) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  15.61 +/- 0.90   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.54 +/- 1.26   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  19.37 +/- 1.76   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.99 +/- 0.04  99.963% * 99.2829% (1.00  10.0 10.00   5.22 127.47) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.39 +/- 2.71   0.021% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  14.61 +/- 0.74   0.008% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.53 +/- 1.39   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.61 +/- 0.59   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.37 +/- 1.95   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  18.87 +/- 2.73   0.002% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.47 +/- 1.36   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.37 +/- 1.36   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  28.10 +/- 1.73   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  31.40 +/- 3.58   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  30.51 +/- 3.22   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.72 +/- 0.08  99.879% * 98.0202% (1.00  10.0 10.00   5.00 127.47) = 100.000%  kept
        T HB3   GLU-  25 - HA    SER   82  12.95 +/- 2.80   0.019% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    GLU-  25  13.40 +/- 0.85   0.008% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   9.10 +/- 0.94   0.090% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  21.82 +/- 1.98   0.000% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  19.51 +/- 1.13   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.68 +/- 0.33   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  24.52 +/- 1.85   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  25.98 +/- 1.24   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.10 +/- 1.27   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.23 +/- 1.76   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  23.98 +/- 2.44   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  20.61 +/- 2.51   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.82 +/- 1.19   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  26.44 +/- 2.53   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  27.45 +/- 1.47   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  33.13 +/- 1.92   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  33.25 +/- 1.60   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.22 +/- 0.42  99.948% * 99.4877% (1.00  10.0 10.00   4.31 127.47) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  13.11 +/- 3.51   0.025% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.79 +/- 0.45   0.025% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.61 +/- 2.84   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  19.36 +/- 0.83   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  21.76 +/- 2.29   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  31.43 +/- 1.26   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  30.10 +/- 1.25   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  31.63 +/- 2.18   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  30.67 +/- 2.08   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.5:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.36 +/- 0.06  99.698% * 99.2510% (1.00  10.0 10.00   3.74 127.47) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  12.87 +/- 3.05   0.064% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  12.12 +/- 1.59   0.064% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.21 +/- 0.74   0.145% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  17.15 +/- 0.60   0.006% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.24 +/- 2.74   0.013% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.34 +/- 2.21   0.005% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  21.67 +/- 1.80   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  24.74 +/- 1.44   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.23 +/- 1.91   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  23.62 +/- 2.71   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  28.35 +/- 0.97   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  29.79 +/- 3.40   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  28.64 +/- 0.96   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.21 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.99 +/- 0.04  99.967% * 99.2383% (1.00  10.0 10.00   5.22 127.47) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.39 +/- 2.71   0.021% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.58 +/- 0.23   0.012% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  23.35 +/- 1.13   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.994% * 97.2368% (1.00  10.0 10.00   5.22 127.47) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.48 +/- 1.02   0.005% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  18.88 +/- 0.40   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  19.40 +/- 0.93   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.20 +/- 0.67   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.43 +/- 1.48   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.62 +/- 1.90   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.48 +/- 1.06   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.25 +/- 1.90   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.89 +/- 0.23  99.994% * 99.8559% (1.00  10.0 10.00   4.53 127.47) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  17.50 +/- 2.92   0.005% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  20.40 +/- 0.90   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  32.19 +/- 1.26   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  30.86 +/- 1.21   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 127.5:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.75 +/- 0.05  99.951% * 99.6757% (1.00  10.0 10.00   3.95 127.47) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  10.74 +/- 1.73   0.047% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  18.48 +/- 0.76   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  24.81 +/- 1.52   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  22.04 +/- 1.90   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.33 +/- 1.95   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.32 +/- 1.10   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.72 +/- 0.08  99.976% * 98.4268% (1.00  10.0 10.00   5.00 127.47) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  12.95 +/- 2.80   0.019% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.34 +/- 0.22   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  23.57 +/- 1.10   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.22 127.47) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.59 +/- 1.21   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.84 +/- 0.58   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  16.31 +/- 0.93   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.22 +/- 2.13   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.61 +/- 1.32   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 = 127.5:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.80 +/- 0.09  99.994% * 99.8559% (1.00  10.0 10.00   4.44 127.47) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.12 +/- 3.27   0.005% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  20.61 +/- 1.06   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  32.44 +/- 1.60   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  31.12 +/- 1.56   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.29 +/- 0.03  99.988% * 99.2075% (1.00  10.0 10.00   3.87 127.47) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.03 +/- 1.39   0.011% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  25.36 +/- 1.79   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.78 +/- 0.94   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  21.98 +/- 1.80   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  24.88 +/- 1.72   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  28.76 +/- 1.23   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.22 +/- 0.42  99.973% * 99.2383% (1.00  10.0 10.00   4.31 127.47) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  13.11 +/- 3.51   0.025% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.82 +/- 0.39   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  24.55 +/- 1.21   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 127.5:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.89 +/- 0.23  99.994% * 99.7000% (1.00  10.0 10.00   4.53 127.47) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  16.41 +/- 0.73   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  19.87 +/- 1.41   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.56 +/- 0.60   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.10 +/- 1.91   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.29 +/- 1.40   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.80 +/- 0.09  99.957% * 99.4104% (1.00  10.0 10.00   4.44 127.47) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.80 +/- 1.06   0.037% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.09 +/- 0.80   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  21.00 +/- 1.10   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.17 +/- 0.42   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  25.93 +/- 2.04   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.86 +/- 1.25   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.71 +/- 1.84   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.95 +/- 1.31   0.000% *  0.0603% (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 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 = 127.5:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.998% * 99.6757% (1.00  10.0 10.00   3.31 127.47) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.49 +/- 2.08   0.002% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  18.55 +/- 0.90   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  22.61 +/- 2.03   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  25.68 +/- 1.63   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  25.63 +/- 2.06   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.90 +/- 1.11   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 = 127.5:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.36 +/- 0.06  99.927% * 98.4268% (1.00  10.0 10.00   3.74 127.47) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  12.87 +/- 3.05   0.064% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.24 +/- 0.23   0.008% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  25.06 +/- 0.98   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.14 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.75 +/- 0.05  99.997% * 99.7000% (1.00  10.0 10.00   3.95 127.47) = 100.000%  kept
          HB2   MET   96 - HG3   GLU-  25  17.62 +/- 0.82   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   GLU-  25  20.27 +/- 1.26   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.58 +/- 0.58   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.36 +/- 1.99   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.65 +/- 1.36   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.21 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.29 +/- 0.03  99.992% * 98.6730% (1.00  10.0 10.00   3.87 127.47) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.61 +/- 1.00   0.007% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.75 +/- 0.70   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  26.84 +/- 1.91   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  21.60 +/- 0.97   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.55 +/- 0.39   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.80 +/- 1.13   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  30.63 +/- 1.85   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.82 +/- 1.38   0.000% *  0.0598% (0.61   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 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.47) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  17.58 +/- 3.11   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.13 +/- 0.88   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  34.03 +/- 1.34   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  32.73 +/- 1.31   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 = 3.2, residual support = 35.8:
    * O T HB    THR   26 - HA    THR   26   3.03 +/- 0.03 100.000% * 99.8279% (1.00  10.0 10.00   3.20  35.81) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  24.25 +/- 0.85   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.03 +/- 1.01   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 0.63 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 35.8:
    * O T QG2   THR   26 - HA    THR   26   2.65 +/- 0.08  99.987% * 99.3101% (1.00  10.0 10.00   3.20  35.81) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.24 +/- 0.43   0.011% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.93 +/- 0.85   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  22.28 +/- 1.62   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  22.99 +/- 1.06   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.12 +/- 1.79   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.70 +/- 1.30   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.14 +/- 1.92   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.31 +/- 0.92   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  27.28 +/- 1.62   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 35.8:
    * O T HA    THR   26 - HB    THR   26   3.03 +/- 0.03  99.554% * 99.6617% (1.00  10.0 10.00   3.20  35.81) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.89 +/- 0.08   0.317% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.40 +/- 0.28   0.113% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.08 +/- 0.98   0.011% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  18.08 +/- 2.28   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  21.32 +/- 1.05   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.31 +/- 1.44   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.40 +/- 0.97   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.58 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.8:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.987% * 99.4369% (1.00  10.0 10.00   3.00  35.81) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   9.92 +/- 0.58   0.012% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.62 +/- 1.64   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.09 +/- 1.00   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.62 +/- 0.80   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.06 +/- 1.05   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  25.56 +/- 1.67   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.03 +/- 1.25   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.66 +/- 1.74   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.69 +/- 1.69   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 = 3.2, residual support = 35.8:
    * O T HA    THR   26 - QG2   THR   26   2.65 +/- 0.08  99.095% * 98.6211% (1.00  10.0 10.00   3.20  35.81) = 100.000%  kept
          HA    ASN   28 - QG2   THR   26   6.69 +/- 0.17   0.406% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.53 +/- 0.22   0.456% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.31 +/- 0.93   0.036% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  14.56 +/- 1.89   0.005% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  20.34 +/- 0.74   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.67 +/- 1.08   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  18.28 +/- 0.98   0.001% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.8:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01 100.000% * 99.1149% (1.00  10.0 10.00   3.00  35.81) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.96 +/- 0.79   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  18.13 +/- 0.83   0.000% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 108.5:
    * O T HB2   TRP   27 - HA    TRP   27   2.94 +/- 0.02  99.986% * 99.8554% (1.00  10.0 10.00   4.74 108.46) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  13.22 +/- 0.82   0.013% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.83 +/- 1.02   0.001% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 108.5:
    * O T HB3   TRP   27 - HA    TRP   27   2.25 +/- 0.03  99.994% * 99.7166% (1.00  10.0 10.00   4.76 108.46) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.47 +/- 0.87   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.73 +/- 0.79   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.67 +/- 1.69   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.49 +/- 0.94   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.07 +/- 2.33   0.002% *  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 = 108.5:
    * O T HA    TRP   27 - HB2   TRP   27   2.94 +/- 0.02  99.994% * 99.7755% (1.00  10.0 10.00   4.74 108.46) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  16.77 +/- 1.71   0.003% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  18.69 +/- 1.15   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.95 +/- 1.20   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 108.5:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 108.46) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  15.47 +/- 0.91   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  15.87 +/- 1.87   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.28 +/- 0.92   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  15.94 +/- 0.88   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  17.83 +/- 2.12   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 108.5:
    * O T HA    TRP   27 - HB3   TRP   27   2.25 +/- 0.03  99.999% * 99.7755% (1.00  10.0 10.00   4.76 108.46) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.69 +/- 1.76   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.04 +/- 1.13   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.31 +/- 1.24   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 108.5:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.998% * 99.8554% (1.00  10.0 10.00   4.97 108.46) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  11.15 +/- 0.90   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  17.76 +/- 0.98   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 105.4:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.689% * 99.2152% (1.00  10.0 10.00   4.33 105.38) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.49 +/- 1.07   0.138% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.26 +/- 0.97   0.152% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  15.29 +/- 2.87   0.010% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  15.05 +/- 1.39   0.008% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  19.03 +/- 1.70   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.37 +/- 1.37   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 105.4:
    * O T HB3   ASN   28 - HA    ASN   28   2.57 +/- 0.10  99.635% * 99.8456% (1.00  10.0 10.00   4.20 105.38) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.82 +/- 0.60   0.364% *  0.0922% (0.92   1.0  1.00   0.02   9.20) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  19.71 +/- 2.55   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  20.25 +/- 2.66   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 105.4:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  90.913% * 99.0365% (1.00  10.0 10.00   4.33 105.38) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   4.87 +/- 0.35   5.968% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   5.80 +/- 0.41   2.073% *  0.0291% (0.29   1.0  1.00   0.02  18.77) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.49 +/- 1.07   0.125% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   7.66 +/- 1.55   0.859% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.29 +/- 0.47   0.022% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  13.64 +/- 2.38   0.020% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.42 +/- 1.06   0.014% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  17.46 +/- 3.25   0.004% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  24.73 +/- 1.16   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.49 +/- 0.96   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  27.97 +/- 1.80   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  24.88 +/- 1.74   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.29 +/- 3.45   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.53 +/- 2.01   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.47 +/- 2.49   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.73 +/- 1.74   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  27.30 +/- 2.91   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 105.4:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.977% * 99.4888% (1.00  10.0 10.00   5.26 105.38) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.59 +/- 0.52   0.018% *  0.0918% (0.92   1.0  1.00   0.02   9.20) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35  10.19 +/- 0.92   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  10.98 +/- 1.17   0.002% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  18.98 +/- 2.93   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  22.28 +/- 2.45   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  19.47 +/- 3.42   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  23.05 +/- 2.43   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 105.4:
    * O T HA    ASN   28 - HB3   ASN   28   2.57 +/- 0.10  99.514% * 99.4977% (1.00  10.0 10.00   4.20 105.38) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.41 +/- 0.32   0.456% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  12.33 +/- 2.37   0.018% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.83 +/- 0.41   0.011% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  18.39 +/- 3.27   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  24.52 +/- 1.20   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.11 +/- 0.83   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.58 +/- 1.88   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.03 +/- 2.25   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 105.4:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.992% * 99.2152% (1.00  10.0 10.00   5.26 105.38) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28  10.19 +/- 0.92   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28   9.81 +/- 1.25   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  15.51 +/- 2.90   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  16.20 +/- 1.37   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  19.94 +/- 1.77   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.43 +/- 1.44   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.2:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.99 +/- 0.10  99.278% * 98.3644% (1.00  10.0 10.00   4.64  92.22) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.21 +/- 0.40   0.241% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.76 +/- 0.63   0.178% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.76 +/- 0.53   0.005% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  10.61 +/- 1.77   0.099% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.88 +/- 0.83   0.007% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  10.71 +/- 1.25   0.064% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  12.05 +/- 2.36   0.051% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  15.52 +/- 1.50   0.006% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  14.09 +/- 2.41   0.026% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  16.88 +/- 2.14   0.005% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  15.68 +/- 2.27   0.007% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.80 +/- 0.68   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.88 +/- 0.83   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  15.08 +/- 2.41   0.009% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.57 +/- 1.11   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.18 +/- 0.72   0.004% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  25.71 +/- 2.03   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  17.48 +/- 2.32   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  23.00 +/- 1.80   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.69 +/- 1.49   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.22 +/- 0.97   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.66 +/- 1.23   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.07 +/- 0.94   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.83 +/- 0.84   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.18 +/- 0.92   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.74 +/- 1.55   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.65 +/- 0.85   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.73 +/- 1.74   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.41 +/- 2.03   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  28.93 +/- 1.94   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  25.67 +/- 1.71   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  27.40 +/- 1.32   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.31 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.829, support = 5.08, residual support = 91.7:
      O   HB3   GLU-  29 - HA    GLU-  29   2.61 +/- 0.16  47.046% * 44.1497% (0.80  10.0  1.00   5.10  92.22) =  82.219%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.55 +/- 0.14   7.889% * 55.1362% (1.00  10.0 10.00   5.11  92.22) =  17.218%  kept
          QB    GLU-  36 - HA    LYS+  33   2.68 +/- 0.40  43.910% *  0.3236% (0.13   1.0  1.00   0.88   0.02) =   0.562%  kept
          QB    GLU-  36 - HA    GLN   32   5.15 +/- 0.40   0.832% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33  10.04 +/- 1.08   0.018% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.90 +/- 0.91   0.087% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.82 +/- 0.47   0.031% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.51 +/- 0.33   0.083% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.56 +/- 0.65   0.053% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   9.05 +/- 0.42   0.028% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.26 +/- 0.83   0.018% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.80 +/- 1.50   0.003% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  17.29 +/- 1.96   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  26.30 +/- 1.63   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.62 +/- 2.20   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.44 +/- 1.94   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  29.25 +/- 1.47   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  30.93 +/- 1.15   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.61, residual support = 92.2:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.43 +/- 0.38  99.564% * 99.0116% (1.00  10.0 10.00   4.61  92.22) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   9.08 +/- 1.23   0.271% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLU-  29 - HA    GLN   32   7.69 +/- 0.50   0.157% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  19.11 +/- 2.82   0.001% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.03 +/- 0.77   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.41 +/- 1.25   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.58 +/- 1.44   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  22.10 +/- 3.31   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.03 +/- 0.96   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.72 +/- 1.09   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.81 +/- 0.79   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.19 +/- 0.84   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.58 +/- 0.65   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  24.94 +/- 2.73   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  29.20 +/- 1.93   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.92 +/- 0.96   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.85 +/- 0.97   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.30 +/- 0.96   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.31 +/- 0.71   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  29.69 +/- 2.09   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.29 +/- 2.06   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.2:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.99 +/- 0.10  99.561% * 98.1508% (1.00  10.0 10.00   4.64  92.22) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.76 +/- 0.63   0.179% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.21 +/- 0.40   0.242% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  14.40 +/- 0.80   0.009% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  16.83 +/- 3.32   0.005% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.44 +/- 0.88   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  23.21 +/- 1.17   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  23.75 +/- 2.01   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  28.91 +/- 1.20   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.31 +/- 1.47   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 4.31, residual support = 92.2:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  83.768% * 44.1051% (0.80  10.0  1.00   4.28  92.22) =  80.518%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.31 +/- 0.09  16.229% * 55.0806% (1.00  10.0 10.00   4.47  92.22) =  19.482%  kept
          QB    GLU-  36 - HB2   GLU-  29  10.28 +/- 0.58   0.002% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  15.35 +/- 1.76   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.27 +/- 1.93   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  25.26 +/- 1.70   0.000% *  0.5210% (0.95   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 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 92.2:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.85 +/- 0.15  99.994% * 99.6674% (1.00  10.0 10.00   4.10  92.22) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  18.88 +/- 2.42   0.002% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  18.26 +/- 0.78   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.26 +/- 1.20   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  25.33 +/- 0.98   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.94 +/- 0.75   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  28.83 +/- 2.02   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.61, residual support = 92.2:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.43 +/- 0.38  99.565% * 98.1508% (1.00  10.0 10.00   4.61  92.22) =  99.997%  kept
        T HA    LYS+  33 - HG2   GLU-  29   9.08 +/- 1.23   0.271% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG2   GLU-  29   7.69 +/- 0.50   0.157% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  16.53 +/- 1.17   0.003% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  17.08 +/- 3.78   0.002% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.86 +/- 1.39   0.002% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.81 +/- 1.07   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  24.25 +/- 2.32   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.26 +/- 1.60   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.76 +/- 1.29   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 92.2:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.85 +/- 0.15  99.980% * 99.5124% (1.00  10.0 10.00   4.10  92.22) = 100.000%  kept
          QG    GLU-  15 - HG2   GLU-  29  16.61 +/- 2.85   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.83 +/- 1.03   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG2   GLU-  29  17.29 +/- 2.41   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.50 +/- 1.76   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  17.57 +/- 1.00   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.76 +/- 0.92   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  26.20 +/- 2.33   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.16 +/- 1.26   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  22.97 +/- 1.85   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.05 +/- 1.70   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 0.43 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.22, residual support = 92.2:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  94.268% * 55.3193% (1.00  10.0 10.00   4.22  92.22) =  95.360%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.84 +/- 0.18   5.728% * 44.2962% (0.80  10.0 10.00   4.28  92.22) =   4.640%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.22 +/- 0.99   0.003% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.61 +/- 1.72   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  16.78 +/- 2.00   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  26.29 +/- 1.86   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.919, support = 4.83, residual support = 155.0:
      O T HG3   GLN   30 - HA    GLN   30   2.43 +/- 0.52  64.204% * 46.1414% (0.87  10.0 10.00   4.83 155.00) =  60.880%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.73 +/- 0.22  35.786% * 53.1933% (1.00  10.0 10.00   4.84 155.00) =  39.120%  kept
          HB3   GLU- 100 - HA    GLN   30  13.50 +/- 1.75   0.003% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  12.25 +/- 1.49   0.005% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.81 +/- 1.40   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.52 +/- 0.82   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.69 +/- 1.65   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.43 +/- 1.71   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.92 +/- 1.77   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.52 +/- 1.63   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  28.53 +/- 1.01   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 5.15, residual support = 152.7:
    * O T HB3   GLN   30 - HA    GLN   30   2.92 +/- 0.10  56.969% * 97.5580% (1.00  10.0 10.00   5.21 155.00) =  98.523%  kept
          QB    LYS+  33 - HA    GLN   30   3.17 +/- 0.68  43.014% *  1.9366% (0.25   1.0  1.00   1.59   0.28) =   1.477%  kept
          HB3   LYS+  38 - HA    GLN   30  12.94 +/- 1.85   0.012% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.12 +/- 1.10   0.001% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  20.46 +/- 2.88   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  23.64 +/- 1.31   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  20.95 +/- 2.67   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.51 +/- 1.24   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  26.08 +/- 0.94   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  20.15 +/- 1.17   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  26.29 +/- 1.34   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  27.28 +/- 1.46   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 155.0:
    * O T HG2   GLN   30 - HA    GLN   30   3.11 +/- 0.49  99.285% * 99.8053% (1.00  10.0 10.00   5.59 155.00) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.49 +/- 0.09   0.711% *  0.0921% (0.92   1.0  1.00   0.02   9.20) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  20.27 +/- 2.96   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  19.57 +/- 2.50   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 155.0:
    * O T HA    GLN   30 - HB2   GLN   30   2.73 +/- 0.22  99.788% * 99.6678% (1.00  10.0 10.00   4.84 155.00) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   9.57 +/- 1.69   0.094% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   8.88 +/- 1.12   0.106% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  17.65 +/- 3.64   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  15.52 +/- 2.40   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.32 +/- 1.19   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  26.07 +/- 1.60   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  20.91 +/- 1.60   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  23.43 +/- 0.95   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 155.0:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.636% * 98.9590% (1.00  10.0 10.00   4.08 155.00) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.83 +/- 0.74   0.362% *  0.0247% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.35 +/- 1.98   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.33 +/- 1.19   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  19.00 +/- 3.26   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.20 +/- 1.58   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.09 +/- 1.30   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.90 +/- 1.49   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.41 +/- 1.14   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  23.87 +/- 0.95   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  21.92 +/- 2.71   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  24.00 +/- 1.61   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 155.0:
    * O T HG2   GLN   30 - HB2   GLN   30   2.52 +/- 0.25  99.828% * 99.8053% (1.00  10.0 10.00   5.49 155.00) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.45 +/- 0.78   0.169% *  0.0921% (0.92   1.0  1.00   0.02   9.20) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  18.84 +/- 2.91   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  17.99 +/- 2.33   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 155.0:
    * O T HA    GLN   30 - HB3   GLN   30   2.92 +/- 0.10  99.727% * 99.5115% (1.00  10.0 10.00   5.21 155.00) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.56 +/- 1.05   0.108% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.00 +/- 1.02   0.152% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.85 +/- 1.87   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  17.44 +/- 2.91   0.003% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  23.27 +/- 0.88   0.000% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.10 +/- 1.01   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.85 +/- 1.46   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  20.55 +/- 1.61   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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.992, support = 4.14, residual support = 155.0:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  93.215% * 53.1733% (1.00  10.0 10.00   4.08 155.00) =  94.063%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.76 +/- 0.21   6.782% * 46.1240% (0.87  10.0  1.00   5.10 155.00) =   5.937%  kept
          HB3   GLU- 100 - HB3   GLN   30  13.49 +/- 1.77   0.001% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.19 +/- 1.39   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.40 +/- 0.76   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  25.94 +/- 0.97   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.82 +/- 1.71   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.85 +/- 1.35   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.03 +/- 1.39   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.23 +/- 1.61   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.28 +/- 1.78   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 = 5.77, residual support = 155.0:
    * O T HG2   GLN   30 - HB3   GLN   30   2.75 +/- 0.30  99.627% * 99.8053% (1.00  10.0 10.00   5.77 155.00) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.19 +/- 0.48   0.368% *  0.0921% (0.92   1.0  1.00   0.02   9.20) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  18.55 +/- 2.92   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  17.78 +/- 2.64   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 155.0:
    * O T HA    GLN   30 - HG2   GLN   30   3.11 +/- 0.49  99.605% * 99.6678% (1.00  10.0 10.00   5.59 155.00) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.60 +/- 1.29   0.157% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30   9.75 +/- 1.09   0.201% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.89 +/- 2.01   0.023% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  17.66 +/- 2.86   0.009% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.30 +/- 1.35   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.23 +/- 1.70   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  21.31 +/- 1.82   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  23.55 +/- 1.14   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.885, support = 6.11, residual support = 155.0:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  88.529% * 46.1414% (0.87  10.0 10.00   6.21 155.00) =  87.006%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.52 +/- 0.25  11.468% * 53.1933% (1.00  10.0 10.00   5.49 155.00) =  12.994%  kept
        T HB2   PRO   93 - HG2   GLN   30  19.90 +/- 1.74   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  15.43 +/- 1.74   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.69 +/- 1.13   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.35 +/- 0.80   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.01 +/- 1.58   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  21.40 +/- 1.83   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.60 +/- 1.92   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.43 +/- 1.47   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  26.06 +/- 1.14   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 = 5.77, residual support = 155.0:
    * O T HB3   GLN   30 - HG2   GLN   30   2.75 +/- 0.30  97.200% * 99.4599% (1.00  10.0 10.00   5.77 155.00) =  99.999%  kept
          QB    LYS+  33 - HG2   GLN   30   5.41 +/- 0.60   2.765% *  0.0248% (0.25   1.0  1.00   0.02   0.28) =   0.001%
          HB3   LYS+  38 - HG2   GLN   30  14.66 +/- 2.29   0.028% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.63 +/- 1.08   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  18.73 +/- 2.66   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  21.80 +/- 0.94   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.58 +/- 1.47   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.98 +/- 1.13   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  21.03 +/- 2.70   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.92 +/- 1.27   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  24.15 +/- 1.34   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.72 +/- 1.36   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.01  99.362% * 99.2507% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.12 +/- 1.24   0.475% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  10.59 +/- 1.16   0.068% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.21 +/- 0.66   0.072% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.50 +/- 1.07   0.009% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  18.38 +/- 4.05   0.004% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.74 +/- 1.10   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  18.38 +/- 1.99   0.002% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  20.58 +/- 2.10   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.43 +/- 1.25   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  21.36 +/- 1.68   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  25.52 +/- 1.79   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.14 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB3   LEU   31 - HA    LEU   31   2.51 +/- 0.05  99.932% * 99.6763% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31   9.00 +/- 0.95   0.056% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.18 +/- 0.47   0.008% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.65 +/- 1.73   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.00 +/- 0.86   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.43 +/- 0.87   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  19.41 +/- 2.32   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  28.34 +/- 1.70   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 231.7:
    * O T HG    LEU   31 - HA    LEU   31   2.95 +/- 0.47  68.173% * 99.6594% (0.80  10.0 10.00   5.96 231.76) =  99.983%  kept
          QG1   VAL   41 - HA    LEU   31   3.51 +/- 0.59  29.610% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.014%
          QD2   LEU   73 - HA    LEU   31   5.84 +/- 0.74   2.215% *  0.1149% (0.92   1.0  1.00   0.02   3.25) =   0.004%
          QD1   ILE   56 - HA    LEU   31  18.37 +/- 1.22   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  18.71 +/- 2.24   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.8:
    *   T QD1   LEU   31 - HA    LEU   31   3.62 +/- 0.15 100.000% *100.0000% (1.00 10.00   4.85 231.76) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.31 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.8:
    *   T QD2   LEU   31 - HA    LEU   31   2.41 +/- 0.62  99.836% * 99.6345% (1.00 10.00   5.74 231.76) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   8.40 +/- 0.73   0.150% *  0.2484% (0.25 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  13.73 +/- 2.21   0.011% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  15.96 +/- 1.29   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.12 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.981% * 99.6763% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   7.63 +/- 0.80   0.018% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.87 +/- 0.33   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.63 +/- 1.66   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.09 +/- 0.96   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.36 +/- 1.05   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.35 +/- 2.43   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  29.65 +/- 1.59   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 231.8:
    * O T HG    LEU   31 - HB2   LEU   31   2.64 +/- 0.36  98.158% * 99.6594% (0.80  10.0 10.00   5.98 231.76) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.55 +/- 0.42   1.543% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB2   LEU   31   7.33 +/- 0.53   0.298% *  0.1149% (0.92   1.0  1.00   0.02   3.25) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  19.42 +/- 1.27   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  20.52 +/- 2.41   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T QD1   LEU   31 - HB2   LEU   31   2.58 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.76) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T QD2   LEU   31 - HB2   LEU   31   2.72 +/- 0.45  99.778% * 99.6345% (1.00  10.0 10.00   5.76 231.76) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.59 +/- 0.79   0.195% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB2   LEU   31  12.83 +/- 2.43   0.021% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  15.32 +/- 1.56   0.005% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HB3   LEU   31   2.51 +/- 0.05 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.975% * 99.2507% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   7.81 +/- 1.25   0.020% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.18 +/- 1.25   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  11.10 +/- 0.96   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.55 +/- 1.19   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  18.23 +/- 4.37   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.22 +/- 1.33   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  18.20 +/- 2.31   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.40 +/- 2.29   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  20.78 +/- 2.03   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.03 +/- 1.31   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.59 +/- 1.82   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 231.7:
    * O T HG    LEU   31 - HB3   LEU   31   2.76 +/- 0.23  92.490% * 98.0242% (0.80  10.0 10.00   5.98 231.76) =  99.993%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.35 +/- 0.61   0.328% *  1.1301% (0.92   1.0 10.00   0.02   3.25) =   0.004%
          QG1   VAL   41 - HB3   LEU   31   4.63 +/- 0.65   7.179% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HB3   LEU   31  19.15 +/- 2.54   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  19.06 +/- 1.30   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T QD1   LEU   31 - HB3   LEU   31   2.13 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.76) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T QD2   LEU   31 - HB3   LEU   31   2.94 +/- 0.24  99.786% * 99.6345% (1.00  10.0 10.00   5.76 231.76) = 100.000%  kept
        T QG2   VAL   43 - HB3   LEU   31   8.61 +/- 0.88   0.188% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB3   LEU   31  13.38 +/- 2.56   0.019% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  15.54 +/- 1.53   0.006% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.96, residual support = 231.8:
    * O T HA    LEU   31 - HG    LEU   31   2.95 +/- 0.47 100.000% *100.0000% (0.80  10.0 10.00   5.96 231.76) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 231.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.64 +/- 0.36  98.850% * 99.2507% (0.80  10.0 10.00   5.98 231.76) =  99.999%  kept
          HG    LEU   98 - HG    LEU   31   7.45 +/- 1.50   1.088% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG    LEU   31  12.03 +/- 1.63   0.029% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.63 +/- 0.72   0.012% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.31 +/- 1.12   0.008% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  16.05 +/- 4.50   0.005% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.65 +/- 1.35   0.003% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  16.35 +/- 2.28   0.003% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.13 +/- 2.21   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  19.22 +/- 1.75   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.99 +/- 1.24   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.02 +/- 1.64   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 231.8:
    * O T HB3   LEU   31 - HG    LEU   31   2.76 +/- 0.23  98.882% * 99.4283% (0.80  10.0 10.00   5.98 231.76) =  99.999%  kept
          QG1   VAL   24 - HG    LEU   31   6.88 +/- 1.36   1.089% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.85 +/- 0.65   0.020% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  19.57 +/- 2.57   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  20.43 +/- 1.80   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.22 +/- 0.96   0.004% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.44 +/- 0.93   0.004% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  27.31 +/- 1.64   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.95, residual support = 231.8:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.95 231.76) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 231.8:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.852% * 99.6345% (0.80  10.0 10.00   5.85 231.76) = 100.000%  kept
        T QG2   VAL   43 - HG    LEU   31   6.75 +/- 0.83   0.140% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG    LEU   31  11.65 +/- 2.51   0.007% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  13.90 +/- 1.37   0.001% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.8:
    *   T HA    LEU   31 - QD1   LEU   31   3.62 +/- 0.15 100.000% *100.0000% (1.00 10.00   4.85 231.76) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T HB2   LEU   31 - QD1   LEU   31   2.58 +/- 0.17  97.682% * 99.2507% (1.00  10.0 10.00   4.87 231.76) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   5.44 +/- 1.03   2.207% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   31   9.96 +/- 1.04   0.041% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.88 +/- 0.91   0.022% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD1   LEU   31  13.38 +/- 3.89   0.014% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.50 +/- 1.08   0.016% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.33 +/- 1.31   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  13.47 +/- 2.10   0.007% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  15.45 +/- 1.81   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.60 +/- 1.86   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.74 +/- 1.15   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  19.48 +/- 1.49   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T HB3   LEU   31 - QD1   LEU   31   2.13 +/- 0.16  99.360% * 99.6763% (1.00  10.0 10.00   4.87 231.76) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   5.55 +/- 1.02   0.626% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.95 +/- 0.52   0.007% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.39 +/- 0.96   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.14 +/- 1.43   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.60 +/- 1.11   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  16.03 +/- 2.16   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  22.59 +/- 1.41   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.95, residual support = 231.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  97.534% * 99.6594% (0.80  10.0 10.00   4.95 231.76) =  99.999%  kept
          QG1   VAL   41 - QD1   LEU   31   4.23 +/- 0.62   2.172% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   5.78 +/- 0.64   0.292% *  0.1149% (0.92   1.0  1.00   0.02   3.25) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  14.59 +/- 1.17   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  15.23 +/- 2.18   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.07 +/- 0.05  99.569% * 99.6345% (1.00  10.0 10.00   4.62 231.76) =  99.999%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.52 +/- 0.83   0.402% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - QD1   LEU   31   9.38 +/- 2.34   0.024% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31  11.08 +/- 1.39   0.006% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.8:
    *   T HA    LEU   31 - QD2   LEU   31   2.41 +/- 0.62  99.850% * 99.9324% (1.00 10.00   5.74 231.76) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   8.40 +/- 0.73   0.150% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.09 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T HB2   LEU   31 - QD2   LEU   31   2.72 +/- 0.45  92.508% * 98.7715% (1.00  10.0 10.00   5.76 231.76) =  99.999%  kept
          HG    LEU   98 - QD2   LEU   31   6.29 +/- 0.89   1.350% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QG2   VAL   43   5.30 +/- 0.34   2.652% *  0.0054% (0.05   1.0  1.00   0.02  15.67) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   8.59 +/- 0.79   0.168% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.83 +/- 1.65   2.584% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.06 +/- 1.25   0.085% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.50 +/- 1.27   0.066% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.53 +/- 1.07   0.058% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  13.36 +/- 1.78   0.010% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31  13.06 +/- 3.51   0.020% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.26 +/- 1.22   0.014% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   9.83 +/- 3.09   0.184% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.94 +/- 0.90   0.056% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   9.47 +/- 1.24   0.091% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.25 +/- 0.71   0.092% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.30 +/- 1.14   0.005% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.38 +/- 1.51   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  19.79 +/- 1.64   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  15.85 +/- 1.57   0.003% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.69 +/- 0.94   0.014% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.19 +/- 1.27   0.009% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  11.69 +/- 0.94   0.020% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  15.17 +/- 0.88   0.005% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.19 +/- 1.12   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T HB3   LEU   31 - QD2   LEU   31   2.94 +/- 0.24  87.167% * 99.5873% (1.00  10.0 10.00   5.76 231.76) =  99.997%  kept
          QG1   VAL   24 - QD2   LEU   31   5.57 +/- 1.12   4.996% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   24 - QG2   VAL   43   5.11 +/- 1.33   6.832% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   8.61 +/- 0.88   0.157% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.22 +/- 0.44   0.105% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.45 +/- 0.62   0.200% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.56 +/- 1.42   0.003% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.45 +/- 0.82   0.016% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.19 +/- 1.01   0.283% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.71 +/- 0.90   0.193% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.57 +/- 0.91   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.86 +/- 1.22   0.017% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  16.20 +/- 1.68   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  22.35 +/- 1.32   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.56 +/- 1.56   0.008% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.92 +/- 1.25   0.003% *  0.0038% (0.04   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 = 5.85, residual support = 231.7:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  79.880% * 99.5693% (0.80  10.0 10.00   5.85 231.76) =  99.991%  kept
          QG1   VAL   41 - QD2   LEU   31   3.48 +/- 0.90  11.778% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QD2   LEU   31   4.16 +/- 0.71   2.306% *  0.1148% (0.92   1.0  1.00   0.02   3.25) =   0.003%
          QD2   LEU   73 - QG2   VAL   43   4.59 +/- 1.27   5.799% *  0.0078% (0.06   1.0  1.00   0.02   8.05) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   6.75 +/- 0.83   0.107% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.63 +/- 0.69   0.111% *  0.0021% (0.02   1.0  1.00   0.02   1.90) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.13 +/- 1.07   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   9.47 +/- 1.45   0.015% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  15.49 +/- 1.72   0.001% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  13.65 +/- 1.64   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD1   LEU   31 - QD2   LEU   31   2.07 +/- 0.05  99.598% * 99.9324% (1.00  10.0 10.00   4.62 231.76) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.52 +/- 0.83   0.402% *  0.0676% (0.07   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 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 = 42.8:
    * O T QB    GLN   32 - HA    GLN   32   2.47 +/- 0.07  78.851% * 48.6885% (0.69  10.0 10.00   2.96  44.60) =  94.549%  kept
        T QB    GLN   32 - HA    LYS+  33   4.02 +/- 0.11   4.312% * 50.1038% (0.71   1.0 10.00   4.38  11.70) =   5.320%  kept
        T QB    GLN   32 - HA    GLU-  29   3.30 +/- 0.37  16.773% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.131%
          HG3   GLU- 100 - HA    GLN   32  10.72 +/- 1.89   0.026% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  11.10 +/- 1.50   0.015% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.54 +/- 0.65   0.014% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.25 +/- 0.51   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.42 +/- 0.67   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.42 +/- 1.61   0.002% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.74 +/- 1.64   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.75 +/- 1.56   0.002% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.39 +/- 1.11   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  22.24 +/- 1.21   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  18.53 +/- 1.52   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  17.93 +/- 1.48   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 +/- 0.90   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.86 +/- 1.09   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.67 +/- 2.03   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.86 +/- 2.18   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.76 +/- 2.09   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.46 +/- 0.89   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 43.6:
    * O T QG    GLN   32 - HA    GLN   32   2.31 +/- 0.25  88.362% * 48.7402% (0.69  10.0 10.00   2.96  44.60) =  97.089%  kept
        T QG    GLN   32 - HA    LYS+  33   4.76 +/- 0.76   2.517% * 50.1570% (0.71   1.0 10.00   4.39  11.70) =   2.846%  kept
        T QG    GLN   32 - HA    GLU-  29   4.54 +/- 1.13   9.086% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.065%
        T HB2   GLU- 100 - HA    GLN   32  10.77 +/- 1.87   0.022% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  11.79 +/- 1.53   0.008% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  15.62 +/- 1.75   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  15.06 +/- 1.75   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.13 +/- 1.94   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  19.65 +/- 1.73   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.30 +/- 0.96   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.31 +/- 0.71   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.03 +/- 0.77   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.81 +/- 0.79   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.31 +/- 1.05   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.19 +/- 0.84   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.58 +/- 0.65   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.00 +/- 1.05   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.29 +/- 2.06   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  29.69 +/- 2.09   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.00 +/- 1.32   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  29.20 +/- 1.93   0.000% *  0.0071% (0.10   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 = 42.6:
    * O T HA    GLN   32 - QB    GLN   32   2.47 +/- 0.07  78.899% * 46.7473% (0.69  10.0 10.00   2.96  44.60) =  94.019%  kept
        T HA    LYS+  33 - QB    GLN   32   4.02 +/- 0.11   4.314% * 52.0093% (0.76   1.0 10.00   4.38  11.70) =   5.720%  kept
        T HA    GLU-  29 - QB    GLN   32   3.30 +/- 0.37  16.781% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.261%
          HA    VAL   18 - QB    GLN   32  14.87 +/- 0.80   0.002% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.59 +/- 0.84   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  19.01 +/- 3.62   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  27.39 +/- 1.22   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  24.74 +/- 1.15   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  24.36 +/- 2.13   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.07 +/- 1.23   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 = 44.6:
    * O T QG    GLN   32 - QB    GLN   32   2.12 +/- 0.02  99.993% * 99.7611% (1.00  10.0 10.00   3.00  44.60) = 100.000%  kept
          HB2   GLU- 100 - QB    GLN   32  11.75 +/- 1.69   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  16.14 +/- 1.63   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.01 +/- 0.64   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.07 +/- 0.71   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  26.93 +/- 1.77   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  27.98 +/- 1.01   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 = 3.0, residual support = 43.5:
    * O T HA    GLN   32 - QG    GLN   32   2.31 +/- 0.25  88.392% * 46.7583% (0.69  10.0 10.00   2.96  44.60) =  96.802%  kept
        T HA    LYS+  33 - QG    GLN   32   4.76 +/- 0.76   2.518% * 52.0216% (0.76   1.0 10.00   4.39  11.70) =   3.068%  kept
        T HA    GLU-  29 - QG    GLN   32   4.54 +/- 1.13   9.088% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.130%
          HA    VAL   18 - QG    GLN   32  16.19 +/- 1.11   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.37 +/- 0.75   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  19.80 +/- 4.45   0.000% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  26.70 +/- 1.59   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  24.99 +/- 2.82   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.88 +/- 1.64   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.32 +/- 1.59   0.000% *  0.0331% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.6:
    * O T QB    GLN   32 - QG    GLN   32   2.12 +/- 0.02  99.990% * 99.6746% (1.00  10.0 10.00   3.00  44.60) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  11.42 +/- 1.76   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  13.03 +/- 1.39   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.75 +/- 0.98   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  17.17 +/- 1.55   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.52 +/- 2.15   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  28.18 +/- 1.22   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 149.9:
    * O T QB    LYS+  33 - HA    LYS+  33   2.25 +/- 0.11  98.509% * 96.5845% (1.00  10.0 10.00   6.21 149.94) =  99.997%  kept
        T QB    LYS+  33 - HA    GLN   32   5.39 +/- 0.21   0.553% *  0.2484% (0.26   1.0 10.00   0.02  11.70) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.19 +/- 0.95   0.468% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   6.03 +/- 0.36   0.300% *  0.0067% (0.07   1.0  1.00   0.02  19.43) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.67 +/- 0.44   0.071% *  0.0241% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.75 +/- 0.50   0.018% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.66 +/- 0.23   0.067% *  0.0062% (0.06   1.0  1.00   0.02   1.48) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  19.45 +/- 3.28   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.05 +/- 0.57   0.008% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  25.02 +/- 2.97   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.10 +/- 0.92   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.54 +/- 1.38   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.89 +/- 1.11   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.01 +/- 1.14   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  23.44 +/- 3.37   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.16 +/- 1.05   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.57 +/- 1.22   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.32 +/- 1.11   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.07 +/- 1.45   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.21 +/- 1.05   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.09 +/- 1.31   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.21 +/- 1.38   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.29 +/- 1.47   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.24 +/- 1.14   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.15 +/- 1.03   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.08 +/- 3.23   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.89 +/- 1.42   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.92 +/- 1.21   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  31.01 +/- 1.16   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.55 +/- 1.48   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  26.49 +/- 1.63   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.34 +/- 1.44   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  29.30 +/- 1.51   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.93 +/- 1.13   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  25.92 +/- 3.44   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.68 +/- 1.30   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.53 +/- 1.25   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  27.74 +/- 1.20   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  31.62 +/- 1.42   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  27.83 +/- 2.93   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  24.50 +/- 1.47   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  26.11 +/- 1.38   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.992, support = 5.98, residual support = 148.5:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.12 +/- 0.37  91.077% * 76.3092% (1.00  10.0 10.00   6.00 149.94) =  98.977%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.09 +/- 0.89   3.607% * 19.6245% (0.26   1.0 10.00   4.18  11.70) =   1.008%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.05 +/- 2.05   4.740% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+ 102 - HA    LYS+  33  16.34 +/- 1.27   0.005% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.03 +/- 1.78   0.015% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  10.93 +/- 0.71   0.056% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.35 +/- 1.12   0.160% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  13.07 +/- 0.88   0.022% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  11.13 +/- 0.86   0.058% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  14.35 +/- 1.95   0.016% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  14.60 +/- 0.62   0.010% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.00 +/- 1.23   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.06 +/- 1.76   0.003% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  22.91 +/- 1.75   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  11.45 +/- 1.20   0.046% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.85 +/- 0.90   0.023% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.08 +/- 1.41   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.53 +/- 1.43   0.022% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  20.68 +/- 1.31   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.79 +/- 0.77   0.009% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.56 +/- 1.52   0.056% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.55 +/- 0.48   0.007% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  24.57 +/- 1.32   0.000% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.83 +/- 1.39   0.000% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  17.78 +/- 2.30   0.005% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.41 +/- 0.79   0.004% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.91 +/- 2.03   0.004% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  13.56 +/- 1.26   0.018% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.15 +/- 0.45   0.008% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  16.92 +/- 3.14   0.007% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  18.01 +/- 2.12   0.004% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.90 +/- 0.70   0.003% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  22.90 +/- 2.74   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  22.64 +/- 1.85   0.001% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  22.55 +/- 3.20   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.81 +/- 1.44   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  21.05 +/- 2.27   0.001% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  21.06 +/- 3.66   0.002% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  33.09 +/- 1.03   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  22.46 +/- 2.76   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.94 +/- 1.30   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  24.86 +/- 2.51   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.02 +/- 1.25   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.66 +/- 1.21   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.54 +/- 1.33   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.77, residual support = 148.7:
    *   T QD    LYS+  33 - HA    LYS+  33   3.54 +/- 0.68  91.196% * 76.4468% (1.00 10.00   4.79 149.94) =  99.156%  kept
        T QD    LYS+  33 - HA    GLN   32   6.69 +/- 1.16   2.168% * 19.6599% (0.26 10.00   3.10  11.70) =   0.606%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.73 +/- 1.64   6.606% *  2.5309% (0.28 10.00   0.24   0.02) =   0.238%
          HD2   LYS+  74 - HA    LYS+  33  18.86 +/- 1.00   0.006% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  32.41 +/- 1.91   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.11 +/- 0.56   0.010% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.66 +/- 0.78   0.001% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  25.66 +/- 2.90   0.001% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.28 +/- 1.01   0.005% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.24 +/- 1.82   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.04 +/- 1.97   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.74 +/- 0.79   0.002% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.97 +/- 0.85   0.001% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  26.54 +/- 3.19   0.001% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  28.72 +/- 2.63   0.001% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  32.47 +/- 1.39   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.44 +/- 1.06   0.000% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  32.44 +/- 1.23   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.21 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.766, support = 4.76, residual support = 111.7:
    *   T QE    LYS+  33 - HA    LYS+  33   3.92 +/- 0.73  23.810% * 50.1199% (1.00 10.00   5.44 149.94) =  71.463%  kept
        T HB2   ASN   35 - HA    GLN   32   3.29 +/- 0.74  58.178% *  4.3967% (0.09 10.00   2.10   6.31) =  15.318%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.13 +/- 0.24  12.468% * 13.7158% (0.27 10.00   4.74  34.33) =  10.241%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.36 +/- 0.36   2.309% * 17.0963% (0.34 10.00   2.01   1.35) =   2.364%  kept
        T QE    LYS+  33 - HA    GLN   32   6.76 +/- 1.14   0.769% * 12.8894% (0.26 10.00   3.28  11.70) =   0.594%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.55 +/- 1.52   2.097% *  0.1399% (0.28 10.00   0.02   0.02) =   0.018%
        T HB2   ASN   28 - HA    GLN   32   8.56 +/- 0.58   0.181% *  0.1263% (0.25 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  33  11.06 +/- 0.54   0.034% *  0.4913% (0.98 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    GLU-  29   8.68 +/- 0.81   0.130% *  0.0477% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  21.73 +/- 1.82   0.001% *  0.4495% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  14.02 +/- 1.60   0.010% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  17.74 +/- 1.24   0.002% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  22.97 +/- 1.67   0.000% *  0.1255% (0.25 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  22.17 +/- 1.19   0.001% *  0.1116% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  23.48 +/- 1.45   0.000% *  0.1156% (0.23 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  21.62 +/- 1.46   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  19.08 +/- 2.70   0.002% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  24.94 +/- 2.65   0.000% *  0.0344% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  22.18 +/- 3.11   0.001% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.77 +/- 1.23   0.003% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  26.72 +/- 1.47   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  21.90 +/- 1.59   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.33 +/- 1.19   0.001% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  25.90 +/- 1.66   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 149.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.25 +/- 0.11  97.511% * 98.1731% (1.00  10.0 10.00   6.21 149.94) =  99.994%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.19 +/- 0.95   0.445% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QB    LYS+  33   5.39 +/- 0.21   0.542% *  0.2730% (0.28   1.0 10.00   0.02  11.70) =   0.002%
          HB2   SER   37 - QB    LYS+  33   5.42 +/- 0.82   1.477% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.96 +/- 1.43   0.019% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.54 +/- 0.79   0.006% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  20.58 +/- 3.06   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.92 +/- 0.94   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.32 +/- 1.21   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.84 +/- 1.12   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  25.45 +/- 1.56   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 149.9:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.43 +/- 0.10  99.902% * 96.3761% (1.00  10.0 10.00   6.21 149.94) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33   9.51 +/- 0.63   0.032% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.92 +/- 0.89   0.027% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.30 +/- 1.07   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.84 +/- 1.76   0.012% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  11.77 +/- 0.82   0.008% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  18.73 +/- 1.74   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.28 +/- 1.13   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.75 +/- 1.14   0.010% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.52 +/- 0.79   0.004% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  19.95 +/- 2.36   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  18.99 +/- 1.56   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  18.55 +/- 2.72   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.55 +/- 1.39   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  28.30 +/- 0.84   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 149.9:
    * O T QD    LYS+  33 - QB    LYS+  33   2.22 +/- 0.19  99.998% * 97.3258% (1.00  10.0 10.00   5.07 149.94) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.89 +/- 0.90   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.15 +/- 2.35   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  27.90 +/- 1.71   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.61 +/- 0.72   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.15 +/- 1.30   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 149.9:
    *   T QE    LYS+  33 - QB    LYS+  33   2.83 +/- 0.60  98.348% * 98.6189% (1.00 10.00   5.64 149.94) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.34 +/- 0.46   1.440% *  0.0336% (0.34  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   9.12 +/- 0.76   0.158% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.80 +/- 1.79   0.003% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.89 +/- 1.74   0.046% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.92 +/- 1.02   0.002% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  21.21 +/- 2.17   0.001% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  22.04 +/- 1.34   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 149.8:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.12 +/- 0.37  83.850% * 93.2464% (1.00  10.0 10.00   6.00 149.94) =  99.931%  kept
        T HA    GLU-  29 - HG3   LYS+  33   7.05 +/- 2.05   4.730% *  0.8999% (0.97   1.0 10.00   0.02   0.02) =   0.054%
        T HA    GLN   32 - HG3   LYS+  33   6.09 +/- 0.89   3.560% *  0.2593% (0.28   1.0 10.00   0.02  11.70) =   0.012%
          HB2   SER   37 - HG3   LYS+  33   6.07 +/- 2.07   7.419% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   LYS+  65   9.21 +/- 1.46   0.225% *  0.0762% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  11.21 +/- 2.22   0.064% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.34 +/- 1.27   0.005% *  0.4632% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.03 +/- 1.78   0.014% *  0.1288% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.19 +/- 1.24   0.020% *  0.0882% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.82 +/- 1.25   0.024% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.45 +/- 1.74   0.019% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.06 +/- 1.76   0.003% *  0.4470% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.32 +/- 0.98   0.018% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  20.68 +/- 1.31   0.001% *  0.5718% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.00 +/- 1.23   0.001% *  0.5925% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  22.91 +/- 1.75   0.001% *  0.8052% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.64 +/- 1.55   0.008% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.56 +/- 1.55   0.008% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  24.57 +/- 1.32   0.000% *  0.7771% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.08 +/- 1.41   0.002% *  0.1647% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.70 +/- 1.41   0.003% *  0.0561% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.61 +/- 1.25   0.002% *  0.0914% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  23.17 +/- 4.08   0.001% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.83 +/- 1.39   0.000% *  0.2239% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  15.64 +/- 1.65   0.008% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.87 +/- 2.04   0.002% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  23.39 +/- 3.19   0.001% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.19 +/- 0.74   0.001% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  21.81 +/- 1.78   0.001% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.76 +/- 1.77   0.002% *  0.0179% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.50 +/- 1.61   0.002% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  21.14 +/- 1.97   0.001% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.36 +/- 1.62   0.001% *  0.0312% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.75 +/- 1.70   0.000% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.97 +/- 1.65   0.002% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  27.55 +/- 4.46   0.000% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.88 +/- 1.79   0.000% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.11 +/- 1.30   0.000% *  0.0722% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  28.60 +/- 2.15   0.000% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.46 +/- 1.46   0.000% *  0.0249% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  28.46 +/- 2.50   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.59 +/- 1.66   0.000% *  0.0244% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.59 +/- 1.87   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.54 +/- 1.49   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.841, support = 6.1, residual support = 144.3:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.43 +/- 0.10  46.655% * 60.0127% (1.00  10.0 10.00   6.21 149.94) =  60.154%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.39 +/- 0.07  51.409% * 36.0742% (0.60  10.0 10.00   5.95 135.77) =  39.844%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.20 +/- 0.44   0.571% *  0.0374% (0.62   1.0  1.00   0.02  21.80) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.81 +/- 1.18   0.409% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.26 +/- 1.13   0.423% *  0.0282% (0.47   1.0  1.00   0.02  22.16) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.23 +/- 1.46   0.459% *  0.0150% (0.25   1.0  1.00   0.02   0.28) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.57 +/- 1.14   0.005% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.82 +/- 2.30   0.024% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.61 +/- 1.48   0.010% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.30 +/- 1.07   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.64 +/- 1.36   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.30 +/- 1.46   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  11.59 +/- 2.57   0.012% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.78 +/- 1.32   0.005% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  18.73 +/- 1.74   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.28 +/- 1.13   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  15.39 +/- 1.87   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.11 +/- 1.27   0.001% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  12.96 +/- 2.15   0.003% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.41 +/- 1.08   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.86 +/- 1.89   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.11 +/- 1.01   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.12 +/- 3.21   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.25 +/- 1.55   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.66 +/- 2.20   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  20.58 +/- 1.31   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.33 +/- 1.04   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  20.56 +/- 3.08   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  17.76 +/- 1.38   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  20.76 +/- 1.15   0.000% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  23.68 +/- 3.22   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.20 +/- 1.41   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  16.69 +/- 1.59   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.37 +/- 1.24   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.90 +/- 1.42   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.72 +/- 1.22   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  22.79 +/- 2.11   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.59 +/- 1.11   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.25 +/- 1.34   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  24.90 +/- 2.20   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.71 +/- 1.92   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.24 +/- 1.30   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  20.62 +/- 3.42   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.01 +/- 3.51   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  20.91 +/- 1.70   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.35 +/- 1.60   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  29.45 +/- 1.33   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  29.67 +/- 1.69   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.39 +/- 1.51   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  27.79 +/- 3.14   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  29.62 +/- 1.40   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.32 +/- 1.52   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.29 +/- 1.61   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.14 +/- 1.33   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.65 +/- 1.98   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.82 +/- 1.57   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.9:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.30 +/- 0.14  99.945% * 94.8130% (1.00  10.0 10.00   4.55 149.94) = 100.000%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  13.58 +/- 2.59   0.006% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   9.32 +/- 1.08   0.030% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  18.71 +/- 2.69   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  11.49 +/- 0.97   0.009% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  16.75 +/- 0.97   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.14 +/- 1.98   0.003% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.48 +/- 1.41   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.16 +/- 1.56   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.36 +/- 2.19   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.15 +/- 2.87   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.27 +/- 0.98   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.93 +/- 1.36   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.98 +/- 1.61   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.46 +/- 1.97   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  20.67 +/- 3.55   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.29 +/- 2.11   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  22.10 +/- 1.03   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.72 +/- 2.88   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.67 +/- 1.13   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.83 +/- 1.13   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.46 +/- 1.38   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  30.58 +/- 1.67   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.03 +/- 1.52   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 = 0.864, support = 4.61, residual support = 158.4:
      O T QE    LYS+  65 - HG3   LYS+  65   2.48 +/- 0.46  65.889% * 42.3520% (0.77  10.0 10.00   4.29 164.04) =  60.083%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.86 +/- 0.49  33.901% * 54.6859% (1.00  10.0 10.00   5.11 149.94) =  39.917%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.14 +/- 0.56   0.158% *  0.0187% (0.34   1.0  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.35 +/- 1.90   0.032% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  19.45 +/- 3.06   0.001% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.18 +/- 1.22   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  20.11 +/- 2.29   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.05 +/- 1.70   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.74 +/- 1.00   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.05 +/- 1.30   0.006% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  13.31 +/- 2.35   0.005% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  18.81 +/- 1.69   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  20.29 +/- 1.78   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  18.84 +/- 3.40   0.001% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.32 +/- 1.82   0.001% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  14.24 +/- 1.50   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.82 +/- 1.23   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.73 +/- 1.37   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.23 +/- 1.31   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.24 +/- 1.64   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  21.88 +/- 2.20   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  23.82 +/- 2.99   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  24.23 +/- 3.89   0.000% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.58 +/- 1.24   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.73 +/- 1.45   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.23 +/- 2.03   0.001% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  17.96 +/- 2.19   0.001% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.86 +/- 1.70   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.26 +/- 1.34   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.67 +/- 1.37   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  27.41 +/- 1.08   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  30.18 +/- 1.66   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 148.6:
    *   T HA    LYS+  33 - QD    LYS+  33   3.54 +/- 0.68  79.518% * 87.2294% (1.00 10.00   4.79 149.94) =  99.109%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.73 +/- 1.64   6.170% *  9.9825% (0.97 10.00   0.24   0.02) =   0.880%  kept
        T HA    GLN   32 - QD    LYS+  33   6.69 +/- 1.16   1.962% *  0.2425% (0.28 10.00   0.02  11.70) =   0.007%
          HB2   SER   37 - QD    LYS+  33   6.12 +/- 1.33  11.578% *  0.0194% (0.22  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - QD    LYS+  33  10.51 +/- 2.23   0.358% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  11.55 +/- 1.84   0.173% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  10.80 +/- 1.06   0.129% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.71 +/- 2.11   0.087% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  20.83 +/- 3.36   0.004% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.97 +/- 3.10   0.009% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  31.24 +/- 1.82   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.30 +/- 1.97   0.004% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  32.41 +/- 1.91   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.38 +/- 1.64   0.001% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.62 +/- 1.88   0.001% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.56 +/- 2.02   0.001% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.96 +/- 1.68   0.001% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.33 +/- 3.11   0.001% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.04 +/- 1.97   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  25.94 +/- 1.57   0.001% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.68 +/- 1.83   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  30.94 +/- 2.06   0.000% *  0.0174% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 149.9:
    * O T QB    LYS+  33 - QD    LYS+  33   2.22 +/- 0.19  99.390% * 94.1852% (1.00  10.0 10.00   5.07 149.94) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.10 +/- 1.08   0.477% *  0.0235% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  10.86 +/- 1.99   0.020% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111   9.83 +/- 1.60   0.024% *  0.0478% (0.51   1.0  1.00   0.02   1.98) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  10.25 +/- 1.87   0.052% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  16.14 +/- 2.19   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.33 +/- 1.87   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.61 +/- 0.93   0.011% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  17.72 +/- 3.44   0.004% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  13.99 +/- 2.24   0.003% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.77 +/- 1.99   0.015% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.13 +/- 1.31   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.18 +/- 3.33   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.36 +/- 1.43   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  18.86 +/- 2.56   0.001% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.65 +/- 0.83   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.15 +/- 3.50   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  26.52 +/- 1.99   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  27.90 +/- 1.71   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  19.56 +/- 1.32   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  21.13 +/- 2.71   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  24.16 +/- 2.80   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  24.00 +/- 1.77   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  26.59 +/- 1.27   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.03 +/- 1.68   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.90 +/- 1.93   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.96 +/- 1.76   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  29.55 +/- 2.05   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.9:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.30 +/- 0.14  99.532% * 93.1714% (1.00  10.0 10.00   4.55 149.94) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   6.80 +/- 1.10   0.269% *  0.0749% (0.80   1.0  1.00   0.02  28.51) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  13.58 +/- 2.59   0.006% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.77 +/- 2.43   0.128% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33  10.58 +/- 1.43   0.018% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33  11.06 +/- 2.05   0.016% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  16.75 +/- 0.97   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  15.14 +/- 3.02   0.003% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  10.78 +/- 0.80   0.011% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  18.71 +/- 2.69   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.61 +/- 1.27   0.005% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.48 +/- 1.41   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.16 +/- 1.56   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.15 +/- 2.87   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.58 +/- 1.35   0.003% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.17 +/- 1.38   0.004% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  18.97 +/- 1.61   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  18.90 +/- 2.07   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.29 +/- 2.11   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.37 +/- 2.58   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.09 +/- 2.07   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  18.77 +/- 2.76   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.26 +/- 1.63   0.000% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.01 +/- 3.15   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.22 +/- 2.40   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.13 +/- 1.76   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.68 +/- 1.55   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.96 +/- 1.66   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.33 +/- 3.54   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.45 +/- 1.73   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 = 4.21, residual support = 149.9:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.03  99.927% * 96.5704% (1.00  10.0 10.00   4.21 149.94) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.78 +/- 0.72   0.051% *  0.0329% (0.34   1.0  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - QD    LYS+  33   9.75 +/- 1.43   0.015% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  17.71 +/- 2.59   0.000% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.45 +/- 1.61   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  12.14 +/- 2.49   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.98 +/- 1.40   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.41 +/- 2.52   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.25 +/- 1.80   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.44 +/- 3.72   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  21.78 +/- 2.33   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  22.07 +/- 1.66   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.45 +/- 2.42   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.02 +/- 1.92   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.64 +/- 2.33   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.76 +/- 2.95   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.99, support = 5.4, residual support = 148.0:
    *   T HA    LYS+  33 - QE    LYS+  33   3.92 +/- 0.73  71.498% * 76.3050% (1.00 10.00   5.44 149.94) =  98.605%  kept
        T HA    GLN   32 - QE    LYS+  33   6.76 +/- 1.14   3.311% * 21.2156% (0.28 10.00   3.28  11.70) =   1.269%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.55 +/- 1.52   9.008% *  0.7364% (0.97 10.00   0.02   0.02) =   0.120%
          HB2   SER   37 - QE    LYS+  33   6.79 +/- 1.66  11.825% *  0.0170% (0.22  1.00   0.02   0.02) =   0.004%
          HA    VAL   18 - QE    LYS+  65   9.20 +/- 1.60   1.109% *  0.0371% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  11.35 +/- 2.52   0.371% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QE    LYS+  33  12.17 +/- 2.30   0.337% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   8.14 +/- 1.89   1.925% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  13.14 +/- 0.95   0.074% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.82 +/- 1.92   0.071% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.87 +/- 0.86   0.205% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  21.73 +/- 1.82   0.004% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  17.74 +/- 1.24   0.012% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  22.97 +/- 1.67   0.003% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.25 +/- 0.67   0.063% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  20.87 +/- 2.98   0.006% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  22.17 +/- 1.19   0.003% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  17.56 +/- 1.75   0.012% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.48 +/- 1.45   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  13.61 +/- 0.97   0.055% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  21.62 +/- 1.46   0.004% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.80 +/- 2.00   0.063% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  25.36 +/- 2.10   0.002% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.37 +/- 1.56   0.015% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.26 +/- 1.63   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  19.09 +/- 1.67   0.008% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  25.40 +/- 1.48   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.84 +/- 0.73   0.004% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  26.13 +/- 1.61   0.001% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.36 +/- 1.35   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.65 +/- 1.34   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.16 +/- 1.90   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.70 +/- 0.95   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.15 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 149.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.83 +/- 0.60  98.229% * 97.9499% (1.00 10.00   5.64 149.94) = 100.000%  kept
          HB3   GLN   30 - QE    LYS+  33   6.45 +/- 0.88   1.227% *  0.0244% (0.25  1.00   0.02   0.28) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  11.14 +/- 1.97   0.085% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   9.22 +/- 0.95   0.209% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  11.27 +/- 1.29   0.055% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.80 +/- 1.79   0.003% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  13.20 +/- 1.50   0.020% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.00 +/- 1.27   0.024% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  12.51 +/- 1.78   0.033% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  12.86 +/- 1.70   0.030% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.92 +/- 1.02   0.002% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  16.97 +/- 2.43   0.004% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.09 +/- 1.09   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.86 +/- 1.63   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.79 +/- 1.28   0.003% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.90 +/- 0.91   0.003% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  21.17 +/- 2.53   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  20.23 +/- 1.64   0.001% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.12 +/- 1.45   0.007% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.87 +/- 0.92   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  17.34 +/- 1.40   0.004% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.39 +/- 1.61   0.020% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.82 +/- 1.51   0.004% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  22.24 +/- 1.91   0.001% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.56 +/- 0.73   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.81 +/- 1.47   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.73 +/- 1.28   0.008% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.58 +/- 1.38   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.05 +/- 1.98   0.007% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.03 +/- 1.70   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  26.88 +/- 1.52   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.62 +/- 1.97   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  27.06 +/- 2.41   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.91 +/- 3.59   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  19.13 +/- 1.46   0.002% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  22.60 +/- 0.89   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.75 +/- 1.40   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.47 +/- 1.66   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.76 +/- 1.13   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.45 +/- 2.04   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.43 +/- 2.36   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.87 +/- 1.95   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.756, support = 4.7, residual support = 157.0:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.86 +/- 0.49  33.565% * 63.8684% (1.00  10.0 10.00   5.11 149.94) =  50.164%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.48 +/- 0.46  65.443% * 32.5421% (0.51  10.0 10.00   4.29 164.04) =  49.835%  kept
          HB2   LEU   80 - HB2   ASP-  76   6.09 +/- 1.01   0.608% *  0.0015% (0.02   1.0  1.00   0.02   2.43) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  11.04 +/- 1.66   0.014% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  33  11.41 +/- 2.45   0.015% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.04 +/- 1.03   0.204% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.18 +/- 1.22   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  19.45 +/- 3.06   0.001% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.27 +/- 1.12   0.009% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  13.32 +/- 1.77   0.004% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.48 +/- 0.92   0.089% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.44 +/- 0.86   0.004% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  20.05 +/- 1.70   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.77 +/- 0.84   0.011% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  20.11 +/- 2.29   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.74 +/- 1.00   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.18 +/- 2.00   0.008% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.43 +/- 1.24   0.002% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.99 +/- 1.70   0.003% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.96 +/- 2.49   0.002% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  15.22 +/- 2.19   0.002% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  18.81 +/- 1.69   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  20.29 +/- 1.78   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.64 +/- 1.23   0.003% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.00 +/- 1.29   0.003% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.73 +/- 1.37   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.05 +/- 2.75   0.002% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.82 +/- 1.23   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.97 +/- 0.96   0.001% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.86 +/- 0.58   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.42 +/- 1.51   0.003% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.73 +/- 1.45   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  19.42 +/- 1.60   0.000% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  18.93 +/- 2.55   0.000% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.06 +/- 1.13   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.72 +/- 3.45   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  19.07 +/- 1.07   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.67 +/- 2.40   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.32 +/- 1.16   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  29.64 +/- 1.94   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  22.25 +/- 1.99   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.75 +/- 1.34   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  23.54 +/- 1.49   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.82 +/- 1.79   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.02 +/- 1.56   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 149.9:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.03  99.847% * 97.4730% (1.00  10.0 10.00   4.21 149.94) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   7.99 +/- 1.15   0.061% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.12 +/- 1.38   0.074% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  17.71 +/- 2.59   0.000% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  10.74 +/- 1.09   0.008% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  13.91 +/- 2.01   0.002% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.45 +/- 1.61   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.53 +/- 1.79   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.98 +/- 1.40   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.27 +/- 1.35   0.003% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.12 +/- 1.68   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.41 +/- 2.52   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  20.27 +/- 1.65   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.25 +/- 1.80   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.58 +/- 2.87   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.61 +/- 1.22   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  27.86 +/- 2.26   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  27.39 +/- 1.60   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.6:
    * O T QB    ALA   34 - HA    ALA   34   2.12 +/- 0.01  80.516% * 99.3602% (0.80  10.0 10.00   1.93  25.59) =  99.991%  kept
          QG2   THR   39 - HA    ALA   34   4.07 +/- 1.42  16.372% *  0.0308% (0.25   1.0  1.00   0.02   2.96) =   0.006%
          HG3   LYS+  38 - HA    ALA   34   6.71 +/- 1.49   3.109% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    ALA   34  14.90 +/- 1.13   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.11 +/- 2.23   0.000% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.67 +/- 1.42   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.04 +/- 2.48   0.001% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.02 +/- 1.21   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.29 +/- 0.59   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.99 +/- 1.09   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  21.02 +/- 3.87   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.68 +/- 1.23   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.46 +/- 1.21   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.83 +/- 0.93   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.6:
    * O T HA    ALA   34 - QB    ALA   34   2.12 +/- 0.01  99.194% * 98.8230% (0.80  10.0 10.00   1.93  25.59) =  99.999%  kept
          HA1   GLY  101 - QB    ALA   34   6.31 +/- 1.65   0.589% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.83 +/- 0.31   0.094% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.61 +/- 0.03   0.109% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.75 +/- 0.80   0.014% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.11 +/- 2.23   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.07 +/- 0.88   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.64 +/- 1.57   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.38 +/- 0.99   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  20.39 +/- 1.95   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 55.5:
    * O T HB2   ASN   35 - HA    ASN   35   2.77 +/- 0.06  99.460% * 98.4270% (1.00  10.0 10.00   4.03  55.51) =  99.999%  kept
        T HB2   ASN   35 - HA    LEU   40   9.66 +/- 1.13   0.103% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  13.05 +/- 0.51   0.009% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.73 +/- 0.82   0.123% *  0.0336% (0.34   1.0  1.00   0.02   1.35) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  10.96 +/- 2.74   0.187% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.39 +/- 0.74   0.004% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  17.25 +/- 2.03   0.003% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  11.13 +/- 2.08   0.043% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  11.39 +/- 1.46   0.029% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.39 +/- 1.59   0.024% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.86 +/- 1.10   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.89 +/- 0.71   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  16.65 +/- 1.24   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.67 +/- 1.12   0.003% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.34 +/- 1.22   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  24.87 +/- 2.71   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.56 +/- 1.22   0.004% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.90 +/- 1.67   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  23.51 +/- 2.24   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.32 +/- 2.37   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  27.70 +/- 1.62   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 86.8:
    * O T QB    GLU-  36 - HA    GLU-  36   2.45 +/- 0.18  99.870% * 98.9106% (1.00  10.0 10.00   5.58  86.76) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.58 +/- 0.73   0.006% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36   9.04 +/- 1.75   0.121% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.56 +/- 0.83   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  26.91 +/- 1.98   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  34.50 +/- 1.00   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.51 +/- 0.78  99.998% * 99.8378% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.19 +/- 1.31   0.002% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.78 +/- 0.92   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  28.24 +/- 2.88   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.41 +/- 0.12  99.988% * 99.2256% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  18.76 +/- 2.89   0.009% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.77 +/- 0.56   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  26.66 +/- 1.92   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  26.60 +/- 1.62   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.93 +/- 1.99   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.38 +/- 1.30   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.51 +/- 0.78  99.999% * 99.7630% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  26.78 +/- 3.83   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.85 +/- 1.81   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  31.08 +/- 2.83   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  33.54 +/- 1.98   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.50 +/- 0.08  99.946% * 98.9106% (1.00  10.0 10.00   4.30  86.76) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.82 +/- 1.22   0.011% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  10.54 +/- 1.68   0.039% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  13.87 +/- 1.04   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  26.64 +/- 2.45   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  34.73 +/- 1.73   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 99.2256% (1.00  10.0 10.00   3.00  86.76) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  18.18 +/- 2.86   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  20.23 +/- 1.00   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  26.35 +/- 2.05   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.53 +/- 2.08   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.41 +/- 2.24   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.82 +/- 1.87   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.41 +/- 0.12  99.986% * 99.6097% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  18.76 +/- 2.89   0.009% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  27.47 +/- 3.73   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  24.19 +/- 1.94   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  30.70 +/- 2.73   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.48 +/- 2.10   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  33.59 +/- 1.95   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.05 +/- 3.07   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  34.38 +/- 2.26   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  31.35 +/- 1.83   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.25 +/- 0.11  99.976% * 99.4418% (1.00  10.0  1.00   4.30  86.76) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.07 +/- 0.76   0.008% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  11.29 +/- 1.69   0.010% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  13.16 +/- 0.95   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.73 +/- 2.42   0.002% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  26.21 +/- 2.20   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  28.46 +/- 2.39   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  20.71 +/- 2.41   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  22.28 +/- 2.23   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.59 +/- 1.37   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  37.20 +/- 1.66   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.78 +/- 2.57   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 99.6937% (1.00  10.0 10.00   3.00  86.76) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  18.18 +/- 2.86   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.37 +/- 1.31   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.69 +/- 1.87   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  28.17 +/- 2.84   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.56 +/- 1.46   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  29.06 +/- 1.69   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  35.41 +/- 2.37   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.6:
    * O T HB2   SER   37 - HA    SER   37   2.63 +/- 0.17  99.152% * 98.0025% (1.00  10.0 10.00   2.58  26.57) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.07 +/- 0.29   0.739% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  12.71 +/- 1.79   0.012% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.10 +/- 1.38   0.041% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.53 +/- 1.11   0.036% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.17 +/- 1.99   0.004% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.40 +/- 0.63   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  13.43 +/- 1.04   0.006% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.26 +/- 1.19   0.002% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  18.52 +/- 1.15   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.28 +/- 2.18   0.004% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.27 +/- 0.53   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.85 +/- 1.43   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.41 +/- 0.68   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.23 +/- 1.59   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.562, support = 2.22, residual support = 15.9:
      O T QB    SER   13 - HA    SER   13   2.44 +/- 0.13  74.793% * 28.4793% (0.35  10.0 10.00   1.93   7.53) =  55.841%  kept
    * O T HB3   SER   37 - HA    SER   37   2.97 +/- 0.15  24.477% * 68.8149% (0.84  10.0 10.00   2.58  26.57) =  44.158%  kept
          HB    THR   39 - HA    SER   37   5.77 +/- 0.93   0.647% *  0.0566% (0.69   1.0  1.00   0.02   2.12) =   0.001%
        T QB    SER   13 - HA    SER   37  13.01 +/- 2.88   0.017% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.93 +/- 1.50   0.054% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.23 +/- 1.88   0.004% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.20 +/- 1.66   0.005% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.77 +/- 0.87   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.82 +/- 0.74   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.23 +/- 1.54   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.66 +/- 1.24   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.83 +/- 0.77   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.07 +/- 1.30   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.47 +/- 1.50   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.88 +/- 1.18   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.56 +/- 3.23   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.60 +/- 1.61   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.52 +/- 2.63   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.6:
    * O T HA    SER   37 - HB2   SER   37   2.63 +/- 0.17  99.762% * 98.1694% (1.00  10.0 10.00   2.58  26.57) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  12.71 +/- 1.79   0.012% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.16 +/- 1.14   0.178% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.02 +/- 1.47   0.037% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.26 +/- 0.90   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.18 +/- 1.11   0.003% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.40 +/- 0.63   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.65 +/- 1.27   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.6:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  94.488% * 98.8953% (0.84  10.0 10.00   2.00  26.57) =  99.995%  kept
          HB    THR   39 - HB2   SER   37   3.84 +/- 1.95   5.508% *  0.0813% (0.69   1.0  1.00   0.02   2.12) =   0.005%
        T QB    SER   13 - HB2   SER   37  12.15 +/- 2.50   0.005% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.29 +/- 1.75   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  29.05 +/- 1.16   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  27.07 +/- 2.92   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 = 0.566, support = 2.21, residual support = 15.7:
      O T HA    SER   13 - QB    SER   13   2.44 +/- 0.13  75.127% * 29.4827% (0.36  10.0 10.00   1.93   7.53) =  56.964%  kept
    * O T HA    SER   37 - HB3   SER   37   2.97 +/- 0.15  24.590% * 68.0513% (0.84  10.0 10.00   2.58  26.57) =  43.035%  kept
        T HA    SER   37 - QB    SER   13  13.01 +/- 2.88   0.017% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QB    SER   13   7.06 +/- 0.65   0.157% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.00 +/- 0.85   0.073% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.23 +/- 1.88   0.004% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.31 +/- 1.67   0.014% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  11.27 +/- 0.96   0.009% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.74 +/- 0.68   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.27 +/- 1.32   0.002% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.82 +/- 0.74   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.23 +/- 1.54   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.37 +/- 1.99   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.70 +/- 1.42   0.000% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  21.51 +/- 1.61   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.68 +/- 0.97   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.6:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.679% * 98.1382% (0.84  10.0 10.00   2.00  26.57) = 100.000%  kept
        T HA    VAL   70 - HB3   SER   37   8.42 +/- 1.71   0.014% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   4.78 +/- 0.49   0.294% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.15 +/- 2.50   0.005% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.42 +/- 1.60   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.59 +/- 0.94   0.006% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  13.49 +/- 1.79   0.001% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.75 +/- 2.70   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.08 +/- 1.31   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.27 +/- 1.44   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 = 6.59, residual support = 220.6:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.84 +/- 0.20  96.427% * 99.6880% (1.00  10.0 10.00   6.59 220.62) =  99.998%  kept
        T HB2   LYS+  38 - HA    GLU- 100   6.26 +/- 1.91   3.461% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    LYS+  38  11.29 +/- 0.97   0.040% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.33 +/- 2.90   0.025% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.34 +/- 0.97   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.56 +/- 0.85   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.35 +/- 0.86   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.23 +/- 1.58   0.023% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.39 +/- 1.77   0.004% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  14.94 +/- 1.41   0.006% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.04 +/- 1.42   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  31.84 +/- 0.84   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.95 +/- 1.38   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  30.32 +/- 1.32   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.6:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.60 +/- 0.18  93.594% * 98.2125% (1.00  10.0 10.00   5.89 220.62) =  99.996%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.63 +/- 2.33   6.124% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HA    LYS+  38   7.93 +/- 0.47   0.132% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.34 +/- 1.14   0.019% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.56 +/- 1.61   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100   9.33 +/- 1.04   0.065% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.19 +/- 1.52   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  11.58 +/- 1.48   0.021% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.09 +/- 1.93   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.36 +/- 1.59   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.16 +/- 1.19   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.74 +/- 0.40   0.022% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.93 +/- 0.66   0.005% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.08 +/- 1.49   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.85 +/- 1.31   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  14.21 +/- 0.84   0.004% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.09 +/- 0.94   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  27.94 +/- 2.46   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.04 +/- 1.68   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.70 +/- 2.32   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  31.74 +/- 0.93   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.75 +/- 1.34   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.31 +/- 0.75   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  26.89 +/- 2.65   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  30.18 +/- 1.38   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.53 +/- 1.54   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 = 0.999, support = 6.91, residual support = 220.4:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.70 +/- 0.73  82.876% * 98.4430% (1.00  10.0 10.00   6.91 220.62) =  99.900%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.27 +/- 2.16   8.025% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.095%
        T HG2   LYS+  99 - HA    GLU- 100   4.77 +/- 0.33   4.996% *  0.0583% (0.06   1.0 10.00   0.02  39.58) =   0.004%
        T HG2   LYS+  38 - HA    GLU- 100   6.04 +/- 2.46   2.257% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  38  10.73 +/- 2.33   0.374% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+  38  10.61 +/- 0.57   0.040% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.10 +/- 1.52   1.330% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.48 +/- 1.30   0.089% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.29 +/- 0.99   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.97 +/- 2.44   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.17 +/- 0.69   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.80 +/- 0.68   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  26.89 +/- 1.41   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  26.06 +/- 3.65   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  28.18 +/- 1.93   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.12 +/- 1.65   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.41 +/- 1.11   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.53 +/- 2.54   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.65 +/- 1.17   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  25.14 +/- 1.85   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  24.83 +/- 4.02   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.14 +/- 2.25   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 3 structures by 0.23 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.993, support = 6.67, residual support = 214.9:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.30 +/- 0.60  56.609% * 79.7352% (1.00  10.0 10.00   6.74 220.62) =  97.098%  kept
          QG2   THR   39 - HA    LYS+  38   5.29 +/- 0.72   6.452% * 17.6112% (0.90   1.0  1.00   4.93  28.84) =   2.444%  kept
          QB    ALA   34 - HA    LYS+  38   4.57 +/- 0.34  10.210% *  1.9834% (0.80   1.0  1.00   0.62   0.02) =   0.436%
        T HG3   LYS+  99 - HA    LYS+  38   7.01 +/- 1.98   2.548% *  0.2993% (0.38   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  38 - HA    GLU- 100   6.53 +/- 2.22   2.031% *  0.0482% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    GLU- 100   5.23 +/- 0.58   4.946% *  0.0181% (0.02   1.0 10.00   0.02  39.58) =   0.002%
          QB    ALA   34 - HA    GLU- 100   4.93 +/- 1.52  15.474% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   6.89 +/- 1.44   1.462% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.81 +/- 1.49   0.160% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  14.16 +/- 2.29   0.044% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.28 +/- 1.25   0.003% *  0.0357% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.21 +/- 1.39   0.001% *  0.0754% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  11.14 +/- 1.29   0.048% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.10 +/- 1.40   0.000% *  0.0715% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.50 +/- 1.06   0.001% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  15.69 +/- 1.31   0.006% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.29 +/- 1.46   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  17.96 +/- 1.32   0.002% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.96 +/- 1.73   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.38 +/- 1.25   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.17 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 220.6:
    *   T QD    LYS+  38 - HA    LYS+  38   3.49 +/- 0.46  81.853% * 97.0123% (1.00 10.00   6.02 220.62) =  99.987%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.60 +/- 2.45  16.992% *  0.0586% (0.06 10.00   0.02   0.02) =   0.013%
          QD    LYS+ 102 - HA    LYS+  38  11.14 +/- 2.46   0.202% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.86 +/- 0.69   0.912% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.32 +/- 1.26   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  19.85 +/- 1.57   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  24.93 +/- 2.39   0.001% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.14 +/- 2.26   0.007% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  20.33 +/- 3.19   0.003% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.34 +/- 1.79   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  28.82 +/- 2.33   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  23.45 +/- 2.85   0.001% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.86 +/- 1.21   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.65 +/- 2.19   0.011% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.40 +/- 1.40   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  19.82 +/- 3.19   0.004% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.87 +/- 1.07   0.001% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  26.71 +/- 2.74   0.001% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  24.93 +/- 1.25   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.09 +/- 0.57   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.14 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 220.6:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.84 +/- 0.20  96.535% * 99.6785% (1.00  10.0 10.00   6.59 220.62) =  99.992%  kept
        T HA    GLU- 100 - HB2   LYS+  38   6.26 +/- 1.91   3.463% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   24 - HB2   LYS+  38  19.26 +/- 1.94   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  27.65 +/- 3.12   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  28.98 +/- 1.91   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 220.6:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.975% * 98.9214% (1.00  10.0 10.00   5.44 220.62) = 100.000%  kept
          HB3   GLN   30 - HB2   LYS+  38  12.82 +/- 2.46   0.011% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LYS+  38   8.58 +/- 1.04   0.014% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.47 +/- 1.67   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  17.88 +/- 1.11   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  15.99 +/- 1.05   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  17.87 +/- 1.13   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  33.67 +/- 2.07   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.36 +/- 1.73   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  28.98 +/- 1.61   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.24 +/- 1.79   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  29.60 +/- 3.25   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  32.53 +/- 2.35   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 220.6:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.69 +/- 0.21  99.378% * 98.5858% (1.00  10.0 10.00   6.08 220.62) =  99.994%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   7.48 +/- 1.71   0.585% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU   31 - HB2   LYS+  38  12.41 +/- 1.16   0.017% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  12.81 +/- 1.88   0.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.50 +/- 1.63   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.37 +/- 2.50   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.82 +/- 1.69   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.38 +/- 1.62   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  27.91 +/- 4.32   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  28.60 +/- 1.84   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  29.89 +/- 1.97   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 220.6:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.54 +/- 0.37  92.199% * 99.1122% (1.00  10.0 10.00   5.94 220.62) =  99.992%  kept
          QB    ALA   34 - HB2   LYS+  38   6.08 +/- 1.37   6.510% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - HB2   LYS+  38   8.13 +/- 1.64   0.427% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB2   LYS+  38   5.87 +/- 0.73   0.790% *  0.0889% (0.90   1.0  1.00   0.02  28.84) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.56 +/- 1.90   0.063% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  14.94 +/- 3.03   0.010% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.64 +/- 2.22   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.52 +/- 1.80   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.66 +/- 1.89   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.02 +/- 2.22   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.6:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.60 +/- 0.18  93.865% * 99.5407% (1.00  10.0 10.00   5.89 220.62) =  99.985%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.63 +/- 2.33   6.134% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.015%
          HA    VAL   24 - HB3   LYS+  38  19.37 +/- 1.69   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.11 +/- 1.91   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  27.46 +/- 2.86   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 220.6:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.994% * 99.2933% (1.00  10.0 10.00   5.44 220.62) = 100.000%  kept
          QG    GLN   17 - HB3   LYS+  38  16.77 +/- 3.50   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  11.34 +/- 1.49   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.62 +/- 1.67   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.41 +/- 1.70   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  33.23 +/- 1.79   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.40 +/- 1.91   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 = 0.999, support = 5.62, residual support = 220.4:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.96 +/- 0.06  90.679% * 98.5858% (1.00  10.0 10.00   5.63 220.62) =  99.900%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.11 +/- 2.08   9.253% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.100%
          HB2   LEU   31 - HB3   LYS+  38  12.76 +/- 0.81   0.016% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.00 +/- 1.91   0.045% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.61 +/- 1.65   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.18 +/- 2.55   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.22 +/- 1.60   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.02 +/- 1.45   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  27.88 +/- 4.11   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  28.17 +/- 1.62   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  28.67 +/- 1.92   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.41, residual support = 219.0:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.77 +/- 0.11  90.246% * 83.6952% (1.00  10.0 10.00   5.43 220.62) =  99.139%  kept
          QG2   THR   39 - HB3   LYS+  38   5.69 +/- 0.95   4.334% * 14.9176% (0.90   1.0  1.00   3.97  28.84) =   0.849%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   6.69 +/- 1.99   2.510% *  0.3141% (0.38   1.0 10.00   0.02   0.02) =   0.010%
          QB    ALA   34 - HB3   LYS+  38   6.18 +/- 1.03   2.700% *  0.0670% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.68 +/- 1.86   0.148% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  15.22 +/- 3.13   0.061% *  0.0474% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.73 +/- 1.71   0.000% *  0.7917% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.91 +/- 2.05   0.001% *  0.0375% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  21.73 +/- 2.19   0.000% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.11 +/- 1.84   0.000% *  0.0751% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.6:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.15 +/- 0.14  99.991% * 98.0597% (1.00  10.0 10.00   4.63 220.62) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  11.49 +/- 2.31   0.007% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.35 +/- 1.77   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  20.99 +/- 2.58   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  17.87 +/- 2.13   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  19.66 +/- 3.45   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  29.24 +/- 2.26   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  26.69 +/- 2.91   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.24 +/- 1.52   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  27.91 +/- 1.45   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 220.5:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.70 +/- 0.73  84.165% * 99.3217% (1.00  10.0 10.00   6.91 220.62) =  99.963%  kept
        T HA    LYS+  38 - HG2   LYS+  99   6.27 +/- 2.16   8.263% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.027%
        T HA    GLU- 100 - HG2   LYS+  38   6.04 +/- 2.46   2.330% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU- 100 - HG2   LYS+  99   4.77 +/- 0.33   5.239% *  0.0603% (0.06   1.0 10.00   0.02  39.58) =   0.004%
          HA    VAL   24 - HG2   LYS+  38  19.17 +/- 1.54   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.44 +/- 1.23   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  27.44 +/- 2.98   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.26 +/- 1.82   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  25.24 +/- 2.81   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.75 +/- 1.44   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 220.6:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.69 +/- 0.21  99.281% * 99.4277% (1.00  10.0 10.00   6.08 220.62) =  99.998%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   7.48 +/- 1.71   0.585% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLN   17 - HG2   LYS+  38  17.18 +/- 3.46   0.033% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.73 +/- 1.14   0.071% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  12.59 +/- 1.53   0.018% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.63 +/- 1.62   0.005% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.52 +/- 1.64   0.002% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.77 +/- 1.85   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.64 +/- 1.55   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.12 +/- 1.33   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.14 +/- 1.31   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.60 +/- 1.18   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  33.71 +/- 1.55   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  30.22 +/- 0.77   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 220.6:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.96 +/- 0.06  90.288% * 98.9095% (1.00  10.0 10.00   5.63 220.62) =  99.972%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.11 +/- 2.08   9.251% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.028%
          QB    LYS+  33 - HG2   LYS+  38   8.76 +/- 0.97   0.225% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  12.93 +/- 1.93   0.045% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.32 +/- 0.50   0.054% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.09 +/- 1.01   0.041% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  11.69 +/- 0.92   0.027% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  13.63 +/- 1.27   0.012% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.61 +/- 0.78   0.017% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.53 +/- 2.44   0.023% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.24 +/- 2.47   0.006% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  17.82 +/- 1.19   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.70 +/- 1.57   0.005% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.91 +/- 1.44   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  27.55 +/- 1.63   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.40 +/- 1.27   0.001% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  28.98 +/- 1.05   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  28.58 +/- 1.81   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  29.42 +/- 3.14   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.43 +/- 0.71   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.19 +/- 1.46   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  28.08 +/- 2.27   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  33.61 +/- 1.57   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  32.73 +/- 2.01   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  30.02 +/- 0.98   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.78 +/- 1.25   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.917, support = 6.48, residual support = 216.4:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.866% * 89.3422% (1.00  10.0 10.00   6.47 220.62) =  90.720%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.866% *  9.1383% (0.10  10.0 10.00   6.60 175.58) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.59 +/- 2.47   0.084% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.23 +/- 1.12   0.061% *  0.0801% (0.90   1.0  1.00   0.02  28.84) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.23 +/- 2.07   0.013% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.19 +/- 0.81   0.055% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.37 +/- 0.75   0.028% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.87 +/- 1.05   0.022% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.32 +/- 3.24   0.001% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.13 +/- 1.84   0.002% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.16 +/- 1.35   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.19 +/- 2.02   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.06 +/- 1.02   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.53 +/- 2.02   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  15.98 +/- 1.71   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.66 +/- 1.55   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.57 +/- 1.40   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.65 +/- 1.62   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  19.65 +/- 1.18   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.49 +/- 1.50   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 = 220.6:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.34 +/- 0.17  94.184% * 96.4250% (1.00  10.0 10.00   5.75 220.62) =  99.983%  kept
        T QD    LYS+  38 - HG2   LYS+  99   5.89 +/- 2.35   5.703% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+ 102 - HG2   LYS+  99   8.23 +/- 1.25   0.093% *  0.2104% (0.22   1.0 10.00   0.02   1.77) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.12 +/- 2.43   0.009% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.28 +/- 1.83   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.75 +/- 2.23   0.006% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.06 +/- 1.46   0.000% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  21.51 +/- 2.46   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  15.52 +/- 3.24   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.34 +/- 1.17   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  19.52 +/- 2.34   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  21.37 +/- 3.34   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.28 +/- 2.62   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  30.48 +/- 2.58   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  26.71 +/- 3.00   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  24.62 +/- 2.64   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.23 +/- 1.30   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.32 +/- 1.23   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.77 +/- 1.06   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.02 +/- 0.79   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 = 6.74, residual support = 220.6:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.30 +/- 0.60  84.276% * 99.5416% (1.00  10.0 10.00   6.74 220.62) =  99.985%  kept
        T HA    GLU- 100 - HG3   LYS+  38   6.53 +/- 2.22   3.121% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  38 - HG3   LYS+  99   7.01 +/- 1.98   3.805% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HG3   LYS+  99   5.23 +/- 0.58   8.789% *  0.0231% (0.02   1.0 10.00   0.02  39.58) =   0.002%
          HA    VAL   24 - HG3   LYS+  38  19.62 +/- 2.22   0.005% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.04 +/- 1.43   0.003% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  27.83 +/- 2.96   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.37 +/- 2.36   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  25.56 +/- 3.03   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.20 +/- 1.70   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.12 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 220.6:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.54 +/- 0.37  99.498% * 99.6340% (1.00  10.0 10.00   5.94 220.62) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.13 +/- 1.64   0.438% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  17.37 +/- 3.69   0.018% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  12.71 +/- 1.63   0.015% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.19 +/- 2.17   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.04 +/- 2.14   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  10.69 +/- 1.15   0.023% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.27 +/- 2.50   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.39 +/- 1.74   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.97 +/- 1.53   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.11 +/- 1.52   0.001% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  34.00 +/- 2.26   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.29 +/- 1.40   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  30.49 +/- 0.93   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 220.6:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.77 +/- 0.11  96.857% * 98.2474% (1.00  10.0 10.00   5.43 220.62) =  99.997%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.69 +/- 1.99   2.547% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HG3   LYS+  38  13.38 +/- 2.64   0.156% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.22 +/- 1.34   0.285% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99   9.79 +/- 0.68   0.055% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.79 +/- 1.19   0.044% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  27.66 +/- 2.42   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.16 +/- 2.60   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.48 +/- 0.91   0.014% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.95 +/- 1.45   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.87 +/- 1.66   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.51 +/- 1.54   0.007% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.59 +/- 0.94   0.012% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.92 +/- 1.73   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.66 +/- 1.42   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.39 +/- 2.54   0.011% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.22 +/- 1.90   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  28.65 +/- 2.36   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  29.78 +/- 3.32   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.57 +/- 0.91   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  33.89 +/- 2.20   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.68 +/- 1.62   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  32.91 +/- 2.85   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  28.49 +/- 2.47   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  30.26 +/- 1.16   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.24 +/- 1.46   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.48, residual support = 216.4:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.947% * 89.3736% (1.00  10.0 10.00   6.47 220.62) =  90.719%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.947% *  9.1415% (0.10  10.0 10.00   6.60 175.58) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.59 +/- 2.47   0.084% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HG3   LYS+  99   8.23 +/- 2.07   0.013% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.79 +/- 1.12   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.00 +/- 2.09   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.53 +/- 1.02   0.006% *  0.0014% (0.02   1.0  1.00   0.02  18.35) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.35 +/- 1.48   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.57 +/- 2.81   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.95 +/- 1.93   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.48 +/- 2.86   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.67 +/- 2.35   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.26 +/- 1.99   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.64 +/- 1.82   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.09 +/- 1.47   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  28.18 +/- 4.32   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  28.72 +/- 1.65   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.98 +/- 1.94   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.96 +/- 1.18   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  20.10 +/- 1.16   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  25.66 +/- 1.60   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  26.70 +/- 4.08   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 = 5.45, residual support = 220.6:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.40 +/- 0.16  96.820% * 97.6899% (1.00  10.0 10.00   5.45 220.62) =  99.997%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.24 +/- 2.28   2.938% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+  99   7.45 +/- 1.51   0.211% *  0.0816% (0.08   1.0 10.00   0.02   1.77) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.19 +/- 2.40   0.009% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.37 +/- 2.00   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  21.82 +/- 2.97   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.61 +/- 2.55   0.015% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  19.44 +/- 2.67   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.81 +/- 1.45   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  15.60 +/- 3.51   0.004% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  21.24 +/- 3.74   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.10 +/- 1.09   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  30.55 +/- 2.37   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  27.10 +/- 3.11   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.08 +/- 2.78   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.43 +/- 2.13   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  25.05 +/- 2.89   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.00 +/- 1.99   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.55 +/- 1.27   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.17 +/- 0.89   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 220.5:
    *   T HA    LYS+  38 - QD    LYS+  38   3.49 +/- 0.46  82.570% * 98.6212% (1.00 10.00   6.02 220.62) =  99.954%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.60 +/- 2.45  17.100% *  0.2196% (0.22 10.00   0.02   0.02) =   0.046%
        T HD2   PRO   58 - QD    LYS+  65  10.84 +/- 0.83   0.119% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.74 +/- 1.08   0.046% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.23 +/- 0.73   0.094% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.43 +/- 1.21   0.017% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  19.85 +/- 1.57   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  18.26 +/- 1.88   0.008% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.32 +/- 1.26   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  25.30 +/- 2.89   0.001% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  19.86 +/- 1.21   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  25.98 +/- 2.13   0.001% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.34 +/- 1.79   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  20.40 +/- 1.49   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.61 +/- 1.22   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.51 +/- 1.71   0.025% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  28.82 +/- 2.33   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  26.71 +/- 2.74   0.001% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  24.62 +/- 1.86   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.86 +/- 3.26   0.002% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 220.6:
    * O   HB2   LYS+  38 - QD    LYS+  38   3.02 +/- 0.31  88.391% * 99.6020% (1.00  10.0   5.07 220.62) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   6.96 +/- 2.66  10.657% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  15.95 +/- 3.75   0.609% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  11.28 +/- 1.53   0.071% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74   9.63 +/- 1.20   0.140% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.79 +/- 1.79   0.011% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.39 +/- 1.78   0.004% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.86 +/- 1.24   0.056% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  12.94 +/- 1.25   0.020% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  14.92 +/- 1.17   0.008% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.85 +/- 0.90   0.004% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  16.33 +/- 1.86   0.005% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.94 +/- 2.14   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.41 +/- 3.37   0.011% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.31 +/- 2.57   0.002% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.75 +/- 0.56   0.004% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.84 +/- 1.66   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  23.55 +/- 2.17   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  30.49 +/- 1.97   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  23.55 +/- 1.74   0.001% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  22.69 +/- 1.72   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.53 +/- 1.69   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.68 +/- 1.92   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  30.49 +/- 2.23   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.57 +/- 1.77   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  31.99 +/- 1.76   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  30.16 +/- 2.04   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.06 +/- 1.84   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.6:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.15 +/- 0.14  99.788% * 98.4611% (1.00  10.0 10.00   4.63 220.62) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  38  12.98 +/- 2.22   0.022% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  10.47 +/- 2.34   0.030% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38   9.54 +/- 1.03   0.021% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.67 +/- 0.90   0.029% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.08 +/- 1.65   0.028% *  0.0072% (0.07   1.0  1.00   0.02   1.98) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.89 +/- 2.14   0.033% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.89 +/- 0.90   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.01 +/- 0.80   0.004% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.79 +/- 1.56   0.003% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  15.56 +/- 1.04   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.48 +/- 1.50   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  11.91 +/- 1.88   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.82 +/- 1.87   0.003% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  20.99 +/- 2.58   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.19 +/- 2.28   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.14 +/- 1.31   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.35 +/- 1.77   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.76 +/- 0.99   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.76 +/- 1.28   0.002% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.85 +/- 1.16   0.002% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  13.31 +/- 1.48   0.003% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  15.80 +/- 1.10   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.88 +/- 3.27   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.44 +/- 1.79   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  13.69 +/- 2.48   0.003% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.52 +/- 1.27   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  18.00 +/- 1.39   0.000% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.10 +/- 1.02   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.33 +/- 1.79   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.42 +/- 1.79   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  20.06 +/- 1.59   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  17.67 +/- 1.61   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  25.93 +/- 1.38   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.32 +/- 1.36   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  25.29 +/- 2.06   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.18 +/- 1.61   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.61 +/- 2.32   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.62 +/- 1.44   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  27.13 +/- 3.04   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  29.24 +/- 2.26   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.33 +/- 1.34   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  18.37 +/- 3.04   0.001% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  30.35 +/- 1.97   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  23.46 +/- 1.81   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.68 +/- 1.38   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  29.31 +/- 2.38   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.52 +/- 0.99   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  24.13 +/- 2.61   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.72 +/- 1.80   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.10 +/- 3.38   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.66 +/- 1.84   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.986, support = 5.76, residual support = 221.8:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.34 +/- 0.17  73.942% * 91.2181% (1.00  10.0 10.00   5.75 220.62) =  98.534%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.98 +/- 0.04  17.628% *  5.4974% (0.06  10.0 10.00   6.21 314.94) =   1.416%  kept
        T HG2   LYS+  99 - QD    LYS+  38   5.89 +/- 2.35   3.851% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.050%
          HB3   ASP-  44 - HD2   LYS+  74   4.92 +/- 1.37   4.408% *  0.0068% (0.07   1.0  1.00   0.02   6.14) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.23 +/- 1.18   0.063% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.48 +/- 1.66   0.034% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.31 +/- 0.84   0.004% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.50 +/- 0.42   0.035% *  0.0075% (0.08   1.0  1.00   0.02   1.46) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.41 +/- 1.80   0.012% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.34 +/- 1.17   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.06 +/- 1.46   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.17 +/- 1.62   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  21.51 +/- 2.46   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.10 +/- 2.07   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  13.69 +/- 1.57   0.002% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.28 +/- 1.83   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.42 +/- 1.38   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.56 +/- 1.79   0.001% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.56 +/- 2.39   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.69 +/- 0.95   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.07 +/- 1.77   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.94 +/- 1.62   0.003% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.05 +/- 0.93   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.82 +/- 1.38   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.41 +/- 1.65   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.80 +/- 2.41   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 1.08   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.74 +/- 1.71   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.28 +/- 2.62   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  25.77 +/- 4.05   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.96 +/- 1.31   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  25.73 +/- 1.59   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.28 +/- 1.69   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.22 +/- 1.80   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.86 +/- 1.32   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.48 +/- 2.58   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.07 +/- 1.16   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.78 +/- 1.57   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.86 +/- 1.09   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.15 +/- 1.23   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.33 +/- 1.28   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.83 +/- 2.67   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.82 +/- 3.44   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.23 +/- 2.05   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.975, support = 5.45, residual support = 219.7:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.40 +/- 0.16  70.005% * 91.1914% (1.00  10.0 10.00   5.45 220.62) =  97.321%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.88 +/- 0.19  25.623% *  6.8213% (0.07  10.0 10.00   5.54 187.29) =   2.665%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.24 +/- 2.28   2.341% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.012%
          QG2   THR   39 - QD    LYS+  38   6.17 +/- 1.03   0.724% *  0.0818% (0.90   1.0  1.00   0.02  28.84) =   0.001%
          QB    ALA   34 - QD    LYS+  38   6.53 +/- 1.03   0.725% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  38  14.82 +/- 3.53   0.145% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.93 +/- 1.78   0.109% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   8.82 +/- 1.42   0.160% *  0.0065% (0.07   1.0  1.00   0.02   1.98) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.69 +/- 1.63   0.037% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.80 +/- 1.97   0.006% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.70 +/- 1.06   0.024% *  0.0113% (0.12   1.0  1.00   0.02   8.32) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  12.70 +/- 2.49   0.037% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.48 +/- 1.30   0.018% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.46 +/- 1.40   0.008% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.54 +/- 0.92   0.007% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.48 +/- 2.54   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.74 +/- 2.18   0.007% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.71 +/- 1.06   0.004% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.82 +/- 2.97   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.72 +/- 1.21   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.97 +/- 0.95   0.003% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.55 +/- 1.51   0.006% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.37 +/- 2.00   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.57 +/- 2.26   0.001% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.09 +/- 1.68   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.10 +/- 1.09   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.81 +/- 1.45   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  15.40 +/- 0.92   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.86 +/- 1.57   0.002% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  16.96 +/- 1.58   0.001% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.09 +/- 1.93   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.45 +/- 1.82   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.32 +/- 1.54   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.08 +/- 2.78   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  30.55 +/- 2.37   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.22 +/- 1.58   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.03 +/- 1.82   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  23.55 +/- 1.65   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.17 +/- 3.30   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.37 +/- 1.99   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 39.7:
    * O T HB    THR   39 - HA    THR   39   2.81 +/- 0.24  97.444% * 98.6574% (1.00  10.0 10.00   3.00  39.72) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.52 +/- 0.81   2.472% *  0.0952% (0.97   1.0  1.00   0.02   2.12) =   0.002%
        T HB    THR   39 - HA    ILE  103  12.88 +/- 1.01   0.015% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  13.80 +/- 2.29   0.014% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.63 +/- 1.04   0.024% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.07 +/- 0.98   0.019% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.83 +/- 1.03   0.005% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.19 +/- 1.16   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.70 +/- 1.16   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  20.38 +/- 1.48   0.001% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.85 +/- 1.14   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.50 +/- 1.28   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  22.76 +/- 3.57   0.001% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.10 +/- 1.90   0.000% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  27.42 +/- 2.82   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  27.63 +/- 0.91   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.868, support = 3.01, residual support = 39.6:
    * O T QG2   THR   39 - HA    THR   39   2.60 +/- 0.55  93.492% * 77.7931% (0.87  10.0 10.00   3.00  39.72) =  99.203%  kept
          HG3   LYS+  38 - HA    THR   39   6.04 +/- 1.28   2.922% * 19.9164% (1.00   1.0  1.00   4.45  28.84) =   0.794%  kept
          QB    ALA   34 - HA    THR   39   5.34 +/- 0.29   2.216% *  0.0749% (0.84   1.0  1.00   0.02   2.96) =   0.002%
          HG3   LYS+  99 - HA    THR   39   6.75 +/- 0.67   0.471% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   7.50 +/- 1.43   0.473% *  0.0249% (0.28   1.0  1.00   0.02   0.21) =   0.000%
        T QG2   THR   39 - HA    ILE  103  10.65 +/- 0.64   0.041% *  0.2570% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.55 +/- 0.57   0.234% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   8.95 +/- 0.83   0.091% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.16 +/- 1.47   0.027% *  0.0472% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.41 +/- 1.08   0.001% *  0.4365% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  17.84 +/- 1.91   0.002% *  0.2570% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  17.58 +/- 1.50   0.002% *  0.1442% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.00 +/- 1.20   0.000% *  0.7779% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.83 +/- 1.56   0.009% *  0.0296% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.12 +/- 1.06   0.005% *  0.0286% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.11 +/- 1.41   0.001% *  0.0865% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.14 +/- 1.51   0.008% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.60 +/- 0.99   0.001% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.87 +/- 1.47   0.002% *  0.0156% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.82 +/- 0.82   0.001% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.06 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 39.7:
    * O T HA    THR   39 - HB    THR   39   2.81 +/- 0.24  99.978% * 98.7925% (1.00  10.0 10.00   3.00  39.72) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.88 +/- 1.01   0.015% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  16.02 +/- 0.87   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.33 +/- 2.18   0.002% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.78 +/- 0.96   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  25.07 +/- 1.00   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.83 +/- 0.90   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.67 +/- 1.14   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  30.35 +/- 1.86   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 39.2:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  94.166% * 59.4485% (0.87  10.0 10.00   3.00  39.72) =  98.458%  kept
        T QB    ALA   34 - HB    THR   39   4.40 +/- 0.82   2.236% * 39.1789% (0.84   1.0 10.00   1.37   2.96) =   1.541%  kept
          HG    LEU   71 - HB    THR   39   5.49 +/- 1.86   3.444% *  0.0191% (0.28   1.0  1.00   0.02   0.21) =   0.001%
          HG3   LYS+  38 - HB    THR   39   7.24 +/- 0.97   0.117% *  0.0684% (1.00   1.0  1.00   0.02  28.84) =   0.000%
        T HG3   LYS+  99 - HB    THR   39   8.75 +/- 0.74   0.024% *  0.2338% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.05 +/- 1.38   0.013% *  0.0361% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.86 +/- 1.10   0.000% *  0.3336% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.35 +/- 1.32   0.000% *  0.5945% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.87 +/- 1.40   0.000% *  0.0661% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  17.16 +/- 1.35   0.000% *  0.0212% (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 = 39.7:
    * O T HA    THR   39 - QG2   THR   39   2.60 +/- 0.55  92.909% * 96.3159% (0.87  10.0 10.00   3.00  39.72) =  99.996%  kept
          HA    GLU-  79 - QG2   THR   23   6.96 +/- 2.13   1.677% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   91   6.06 +/- 1.89   3.112% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA   91   7.25 +/- 2.52   1.562% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QG2   THR   39  10.65 +/- 0.64   0.041% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.24 +/- 1.09   0.064% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  10.01 +/- 2.06   0.417% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  11.20 +/- 1.76   0.050% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.50 +/- 0.89   0.071% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91  10.25 +/- 0.64   0.040% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  17.58 +/- 1.50   0.002% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.41 +/- 1.08   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.83 +/- 0.61   0.013% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  17.84 +/- 1.91   0.002% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  12.21 +/- 0.93   0.016% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  12.92 +/- 1.77   0.012% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  15.29 +/- 1.57   0.004% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.00 +/- 1.20   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.38 +/- 0.98   0.002% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.19 +/- 1.24   0.002% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.60 +/- 0.83   0.001% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.33 +/- 1.02   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.50 +/- 1.31   0.001% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.91 +/- 1.00   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  25.17 +/- 1.28   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  23.67 +/- 2.28   0.000% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  32.20 +/- 1.49   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 39.5:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  83.091% * 94.7274% (0.87  10.0 10.00   3.00  39.72) =  99.430%  kept
          HB3   SER   37 - QG2   THR   39   4.15 +/- 1.48  13.128% *  3.4282% (0.84   1.0  1.00   0.75   2.12) =   0.569%  kept
          HD3   PRO   52 - QB    ALA   91   6.23 +/- 2.40   2.916% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QB    ALA   91   5.47 +/- 0.97   0.722% *  0.0432% (0.40   1.0  1.00   0.02   7.83) =   0.000%
          HB3   SER   82 - QG2   THR   23   7.96 +/- 1.86   0.078% *  0.0444% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.15 +/- 1.85   0.015% *  0.0945% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.37 +/- 1.26   0.033% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.86 +/- 1.10   0.000% *  0.5316% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.10 +/- 0.82   0.009% *  0.0133% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  13.22 +/- 1.73   0.002% *  0.0513% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.33 +/- 0.69   0.002% *  0.0374% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.06 +/- 0.90   0.001% *  0.0613% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.35 +/- 1.32   0.000% *  0.4473% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  14.51 +/- 1.34   0.001% *  0.0289% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.34 +/- 1.35   0.001% *  0.0513% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  18.66 +/- 1.67   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.68 +/- 2.14   0.000% *  0.0791% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  22.09 +/- 0.96   0.000% *  0.0914% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.81 +/- 1.06   0.000% *  0.0344% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.95 +/- 1.49   0.000% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.86 +/- 0.96   0.000% *  0.0432% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.78 +/- 1.41   0.000% *  0.0446% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.29 +/- 1.08   0.000% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.27 +/- 1.11   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 = 5.28, residual support = 105.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.64 +/- 0.24  94.155% * 97.9662% (1.00  10.0 10.00   5.28 105.90) =  99.997%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.48 +/- 0.59   5.523% *  0.0386% (0.39   1.0  1.00   0.02   0.61) =   0.002%
        T HB2   LEU   40 - HA    ASN   35   9.75 +/- 1.19   0.058% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.37 +/- 1.40   0.016% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15   9.29 +/- 1.44   0.086% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   9.81 +/- 1.10   0.052% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  10.92 +/- 1.09   0.025% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   9.09 +/- 0.31   0.066% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.04 +/- 1.43   0.005% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.52 +/- 1.18   0.002% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.51 +/- 0.71   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.30 +/- 1.10   0.003% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.80 +/- 1.27   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.65 +/- 0.96   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  18.70 +/- 2.14   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  18.80 +/- 1.65   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.20 +/- 1.64   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.01 +/- 1.97   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.23 +/- 0.96   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  23.58 +/- 2.70   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.32 +/- 1.31   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.874, support = 5.5, residual support = 105.9:
    * O T HB3   LEU   40 - HA    LEU   40   2.77 +/- 0.33  59.547% * 70.6117% (1.00  10.0 10.00   5.55 105.90) =  79.892%  kept
      O T HG    LEU   40 - HA    LEU   40   3.06 +/- 0.33  39.932% * 26.5014% (0.38  10.0 10.00   5.30 105.90) =  20.107%  kept
        T HB3   LEU   40 - HA    ASN   35  10.06 +/- 1.09   0.038% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15   9.55 +/- 2.95   0.283% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.07 +/- 1.40   0.013% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.39 +/- 1.19   0.035% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40   9.91 +/- 1.55   0.056% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.91 +/- 1.27   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  11.01 +/- 1.97   0.028% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.20 +/- 1.67   0.005% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  17.48 +/- 0.58   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.20 +/- 0.69   0.008% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  11.53 +/- 0.49   0.011% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  12.62 +/- 2.55   0.012% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.22 +/- 1.44   0.006% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.23 +/- 0.78   0.006% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.14 +/- 0.77   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.77 +/- 1.14   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.82 +/- 0.74   0.007% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.95 +/- 1.11   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.48 +/- 1.92   0.002% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.97 +/- 1.60   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.61 +/- 0.88   0.001% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  24.42 +/- 1.22   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.24 +/- 2.08   0.001% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.73 +/- 1.45   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.97 +/- 1.33   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  20.45 +/- 2.63   0.001% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  19.65 +/- 2.64   0.001% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.85 +/- 1.34   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 105.9:
    * O T HA    LEU   40 - HB2   LEU   40   2.64 +/- 0.24  90.110% * 98.0349% (1.00  10.0 10.00   5.28 105.90) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   4.58 +/- 1.12   9.131% *  0.0244% (0.25   1.0  1.00   0.02  11.53) =   0.003%
        T HA    ASN   35 - HB2   LEU   40   9.75 +/- 1.19   0.058% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  12.37 +/- 1.40   0.016% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   9.29 +/- 1.44   0.084% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   9.81 +/- 1.10   0.052% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  11.49 +/- 3.66   0.038% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.50 +/- 0.61   0.029% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.71 +/- 1.39   0.306% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.53 +/- 2.44   0.124% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.41 +/- 1.11   0.008% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  17.02 +/- 1.48   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.40 +/- 0.71   0.010% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.68 +/- 1.04   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.52 +/- 1.18   0.002% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.04 +/- 1.63   0.017% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.36 +/- 1.23   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.20 +/- 1.30   0.003% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.82 +/- 0.39   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  14.84 +/- 0.73   0.004% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.61 +/- 1.02   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  16.81 +/- 1.25   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.967, support = 4.25, residual support = 105.5:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  81.488% * 69.9238% (1.00  10.0 10.00   4.25 105.90) =  95.044%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.54 +/- 0.26  10.359% * 26.2432% (0.38  10.0  1.00   4.73 105.90) =   4.534%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.23   8.056% *  3.1374% (0.04  10.0  1.00   5.11  58.23) =   0.422%
        T HB3   LEU   40 - HB2   LEU   67   7.51 +/- 1.25   0.023% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   8.00 +/- 1.90   0.033% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.17 +/- 1.69   0.017% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  12.82 +/- 1.73   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  11.40 +/- 2.60   0.003% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.66 +/- 0.60   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.66 +/- 0.88   0.015% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.76 +/- 0.95   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.97 +/- 1.28   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.51 +/- 1.34   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.40 +/- 0.88   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.37 +/- 0.53   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.93 +/- 1.33   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.10 +/- 1.17   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  11.88 +/- 2.70   0.003% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.52 +/- 1.15   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.93 +/- 0.75   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 105.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.77 +/- 0.33  89.391% * 97.9684% (1.00  10.0 10.00   5.55 105.90) =  99.997%  kept
          HA    LYS+  99 - HB3   LEU   40   4.84 +/- 1.42   8.024% *  0.0244% (0.25   1.0  1.00   0.02  11.53) =   0.002%
        T HA    ASN   35 - HB3   LEU   40  10.06 +/- 1.09   0.078% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  12.07 +/- 1.40   0.024% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.67 +/- 0.82   2.216% *  0.0047% (0.05   1.0  1.00   0.02   0.50) =   0.000%
          HA    LEU  123 - HB3   LEU   40  11.45 +/- 3.49   0.106% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.90 +/- 0.59   0.030% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.86 +/- 1.11   0.073% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  12.85 +/- 1.56   0.018% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  16.99 +/- 1.49   0.003% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  17.48 +/- 0.58   0.002% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.04 +/- 1.09   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.95 +/- 0.99   0.018% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  18.73 +/- 1.27   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.77 +/- 1.14   0.000% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.07 +/- 0.79   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.74 +/- 0.75   0.008% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  24.42 +/- 1.22   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.58 +/- 0.99   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.19 +/- 1.17   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.22 +/- 1.29   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.53 +/- 0.63   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 = 4.25, residual support = 105.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.966% * 99.4293% (1.00  10.0 10.00   4.25 105.90) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   7.51 +/- 1.25   0.028% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.47 +/- 1.12   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.94 +/- 1.92   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.66 +/- 0.60   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.00 +/- 1.45   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.01 +/- 0.80   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.97 +/- 1.28   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.60 +/- 0.75   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.58 +/- 1.24   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.94 +/- 1.17   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.57 +/- 1.86   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.35 +/- 1.52   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  35.29 +/- 1.29   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 74.8:
    * O T HB    VAL   41 - HA    VAL   41   2.76 +/- 0.29  99.615% * 99.0830% (0.69  10.0 10.00   4.00  74.75) = 100.000%  kept
          QB    LYS+  33 - HA    VAL   41   8.18 +/- 0.70   0.187% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.67 +/- 0.58   0.068% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.81 +/- 0.54   0.021% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.97 +/- 0.96   0.022% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.98 +/- 1.16   0.046% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  12.85 +/- 1.36   0.015% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.36 +/- 0.87   0.016% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  16.11 +/- 3.00   0.006% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  21.90 +/- 1.42   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.23 +/- 1.34   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.67 +/- 1.24   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  21.70 +/- 1.87   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  23.76 +/- 0.69   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 74.7:
    * O T QG1   VAL   41 - HA    VAL   41   2.61 +/- 0.38  84.344% * 98.7361% (1.00  10.0 10.00   4.25  74.75) =  99.990%  kept
          QD2   LEU   73 - HA    VAL   41   3.77 +/- 0.70  13.247% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HA    VAL   41   5.21 +/- 0.68   1.723% *  0.0934% (0.95   1.0  1.00   0.02   1.90) =   0.002%
        T QG2   VAL   18 - HA    VAL   41   8.81 +/- 0.84   0.077% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   41   7.10 +/- 0.85   0.324% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.66 +/- 0.85   0.083% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.79 +/- 1.15   0.191% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.30 +/- 0.61   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  14.24 +/- 1.29   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 74.7:
    * O T QG2   VAL   41 - HA    VAL   41   2.49 +/- 0.36  97.915% * 99.7508% (1.00  10.0 10.00   3.98  74.75) =  99.998%  kept
          QD2   LEU   98 - HA    VAL   41   5.42 +/- 0.69   1.928% *  0.0944% (0.95   1.0  1.00   0.02  26.28) =   0.002%
          QD2   LEU   63 - HA    VAL   41   8.27 +/- 1.17   0.153% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  16.25 +/- 3.88   0.003% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 74.8:
    * O T HA    VAL   41 - HB    VAL   41   2.76 +/- 0.29  99.977% * 99.8595% (0.69  10.0 10.00   4.00  74.75) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.50 +/- 2.84   0.014% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.32 +/- 0.71   0.010% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 74.7:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  93.254% * 98.7361% (0.69  10.0 10.00   4.00  74.75) =  99.996%  kept
          QD2   LEU   73 - HB    VAL   41   4.76 +/- 1.07   4.455% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    VAL   41   4.66 +/- 1.13   1.582% *  0.0934% (0.65   1.0  1.00   0.02   1.90) =   0.002%
          HG    LEU   31 - HB    VAL   41   5.43 +/- 0.92   0.630% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.11 +/- 1.05   0.046% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  10.49 +/- 0.91   0.007% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   8.96 +/- 1.17   0.024% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.92 +/- 0.80   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.18 +/- 1.51   0.001% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.94, residual support = 74.4:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  87.827% * 94.6325% (0.69  10.0 10.00   3.96  74.75) =  99.242%  kept
          QD2   LEU   98 - HB    VAL   41   3.64 +/- 1.13  12.160% *  5.2206% (0.65   1.0  1.00   1.17  26.28) =   0.758%  kept
          QD2   LEU   63 - HB    VAL   41   9.78 +/- 1.14   0.012% *  0.0574% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  15.94 +/- 4.09   0.001% *  0.0895% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 74.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.49 +/- 0.36  99.958% * 99.8595% (1.00  10.0 10.00   3.98  74.75) = 100.000%  kept
          HA    HIS  122 - QG2   VAL   41  12.06 +/- 2.39   0.019% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   41  10.37 +/- 0.69   0.023% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.96, residual support = 74.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.654% * 99.0830% (0.69  10.0 10.00   3.96  74.75) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   7.01 +/- 0.82   0.103% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.31 +/- 0.57   0.185% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   9.00 +/- 0.75   0.020% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.86 +/- 0.88   0.022% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.63 +/- 0.85   0.007% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.19 +/- 0.81   0.003% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.96 +/- 1.22   0.002% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  15.41 +/- 2.54   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.42 +/- 1.43   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.41 +/- 1.28   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  16.89 +/- 1.86   0.000% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.53 +/- 1.24   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  19.06 +/- 1.05   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 3.98, residual support = 74.0:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.05  72.317% * 90.5724% (1.00  10.0 10.00   4.00  74.75) =  98.979%  kept
          QG1   VAL   43 - QG2   VAL   41   3.28 +/- 0.74   7.492% *  7.6332% (0.95   1.0  1.00   1.78   1.90) =   0.864%  kept
          QD2   LEU   73 - QG2   VAL   41   3.16 +/- 0.76  13.085% *  0.7614% (0.45   1.0  1.00   0.38   0.02) =   0.151%
          HG    LEU   31 - QG2   VAL   41   3.60 +/- 0.85   6.938% *  0.0549% (0.61   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   VAL   18 - QG2   VAL   41   8.30 +/- 0.89   0.021% *  0.6922% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.52 +/- 0.98   0.064% *  0.1792% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   6.90 +/- 1.02   0.079% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.96 +/- 0.83   0.003% *  0.0586% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.51 +/- 1.30   0.002% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.866, support = 4.17, residual support = 87.9:
    * O T HB    VAL   42 - HA    VAL   42   2.85 +/- 0.24  88.198% * 90.6901% (0.87  10.0 10.00   4.19  88.69) =  99.061%  kept
          QB    LEU   98 - HA    VAL   42   4.67 +/- 0.90  10.232% *  7.3987% (0.76   1.0  1.00   1.85   0.48) =   0.938%  kept
          HB3   LEU   73 - HA    VAL   42   6.79 +/- 1.21   0.925% *  0.0837% (0.80   1.0  1.00   0.02   1.21) =   0.001%
        T HB2   LYS+ 112 - HA    PHE   55   8.02 +/- 1.72   0.382% *  0.1690% (0.16   1.0 10.00   0.02   2.13) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   8.80 +/- 0.98   0.153% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  11.48 +/- 2.25   0.038% *  0.0469% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.22 +/- 0.58   0.026% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.81 +/- 1.00   0.013% *  0.0799% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  13.32 +/- 1.02   0.009% *  0.0965% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.01 +/- 1.06   0.001% *  0.7182% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.75 +/- 0.87   0.006% *  0.0907% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  18.28 +/- 1.16   0.002% *  0.2134% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.14 +/- 1.26   0.005% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  16.98 +/- 3.26   0.003% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.48 +/- 1.01   0.001% *  0.1009% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.91 +/- 1.09   0.002% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.24 +/- 1.12   0.001% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.67 +/- 1.12   0.001% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.32 +/- 1.39   0.001% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.37 +/- 1.11   0.001% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.14 +/- 1.55   0.000% *  0.0076% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  28.13 +/- 1.53   0.000% *  0.0237% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.61 +/- 1.54   0.000% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  30.44 +/- 1.37   0.000% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.7:
    * O T QG1   VAL   42 - HA    VAL   42   2.46 +/- 0.17  98.886% * 98.1799% (0.97  10.0 10.00   4.00  88.69) = 100.000%  kept
          HG2   LYS+ 112 - HA    PHE   55   6.65 +/- 2.07   0.983% *  0.0164% (0.16   1.0  1.00   0.02   2.13) =   0.000%
        T QB    ALA   64 - HA    VAL   42   8.37 +/- 0.82   0.078% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.30 +/- 0.90   0.041% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.32 +/- 0.67   0.003% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  13.63 +/- 0.95   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.96 +/- 0.70   0.005% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.48 +/- 1.46   0.001% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.7:
    * O T QG2   VAL   42 - HA    VAL   42   2.53 +/- 0.45  99.680% * 99.6660% (0.80  10.0 10.00   4.00  88.69) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.78 +/- 0.79   0.313% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  15.18 +/- 0.97   0.004% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.17 +/- 1.02   0.003% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 88.7:
    * O T HA    VAL   42 - HB    VAL   42   2.85 +/- 0.24  98.715% * 97.9628% (0.87  10.0 10.00   4.19  88.69) =  99.998%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.02 +/- 1.72   0.429% *  0.3914% (0.35   1.0 10.00   0.02   2.13) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   7.29 +/- 1.35   0.764% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.42 +/- 0.95   0.059% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  18.28 +/- 1.16   0.002% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.01 +/- 1.06   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.22 +/- 0.55   0.012% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.80 +/- 0.44   0.006% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  15.54 +/- 2.19   0.006% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  15.60 +/- 1.30   0.004% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  19.92 +/- 0.99   0.001% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  20.39 +/- 1.97   0.001% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  22.74 +/- 1.61   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.81 +/- 1.09   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 4.41, residual support = 101.1:
    * O T QG1   VAL   42 - HB    VAL   42   2.11 +/- 0.02  83.877% * 65.1690% (0.84  10.0 10.00   4.19  88.69) =  91.313%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.83 +/- 0.21  15.885% * 32.7352% (0.42  10.0 10.00   6.74 231.71) =   8.686%  kept
          QB    ALA   64 - HB    VAL   42   6.28 +/- 1.04   0.233% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.04 +/- 1.07   0.002% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.53 +/- 0.69   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.94 +/- 1.02   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.17 +/- 1.62   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  15.37 +/- 1.26   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.12, residual support = 88.7:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  99.969% * 99.1635% (0.69  10.0 10.00   4.12  88.69) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.47 +/- 0.78   0.030% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.21 +/- 1.02   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.35 +/- 1.51   0.000% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.19, residual support = 88.7:
    * O T HB    VAL   42 - QG1   VAL   42   2.11 +/- 0.02  98.371% * 96.3200% (0.84  10.0 10.00   4.19  88.69) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   6.03 +/- 1.11   1.139% *  0.0889% (0.77   1.0  1.00   0.02   1.21) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.06 +/- 0.81   0.270% *  0.0849% (0.74   1.0  1.00   0.02   0.48) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   7.78 +/- 1.12   0.112% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   9.04 +/- 1.77   0.040% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.50 +/- 0.73   0.027% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.04 +/- 1.07   0.002% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.94 +/- 1.02   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42  10.19 +/- 0.86   0.009% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  14.53 +/- 0.69   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.57 +/- 1.53   0.010% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.97 +/- 1.05   0.006% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.74 +/- 0.96   0.002% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.64 +/- 1.03   0.003% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.16 +/- 0.76   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  14.05 +/- 2.34   0.002% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.29 +/- 0.91   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  15.82 +/- 1.31   0.001% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.53 +/- 1.65   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.81 +/- 1.00   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.74 +/- 1.39   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.32 +/- 1.08   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.96 +/- 1.45   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  23.18 +/- 1.60   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.7:
    * O T QG2   VAL   42 - QG1   VAL   42   2.03 +/- 0.06  99.867% * 98.9960% (0.77  10.0 10.00   4.00  88.69) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.57 +/- 0.67   0.113% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.32 +/- 0.77   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.77 +/- 0.63   0.017% *  0.0691% (0.54   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 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.7:
    * O T HA    VAL   42 - QG2   VAL   42   2.53 +/- 0.45  99.710% * 99.2010% (0.80  10.0 10.00   4.00  88.69) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.14 +/- 1.49   0.228% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  15.18 +/- 0.97   0.004% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.39 +/- 0.89   0.034% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.38 +/- 0.61   0.011% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  12.74 +/- 1.71   0.011% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  17.02 +/- 0.68   0.002% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.12, residual support = 88.7:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  97.868% * 98.4381% (0.69  10.0 10.00   4.12  88.69) =  99.998%  kept
          QB    LEU   98 - QG2   VAL   42   5.39 +/- 1.12   1.075% *  0.0867% (0.61   1.0  1.00   0.02   0.48) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   6.58 +/- 1.55   0.935% *  0.0909% (0.64   1.0  1.00   0.02   1.21) =   0.001%
          HG3   LYS+ 106 - QG2   VAL   42   8.41 +/- 1.06   0.035% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   8.89 +/- 2.10   0.044% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.47 +/- 1.46   0.022% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.31 +/- 0.87   0.009% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.21 +/- 1.02   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.50 +/- 1.06   0.005% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.71 +/- 1.71   0.005% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.26 +/- 1.04   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  15.52 +/- 2.73   0.001% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.7:
    * O T QG1   VAL   42 - QG2   VAL   42   2.03 +/- 0.06  99.544% * 98.8869% (0.77  10.0 10.00   4.00  88.69) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.49 +/- 0.93   0.453% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.32 +/- 0.77   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.78 +/- 1.22   0.001% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.9:
    * O T HB    VAL   43 - HA    VAL   43   3.00 +/- 0.04  99.969% * 99.7401% (0.97  10.0 10.00   3.30  60.89) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.88 +/- 0.87   0.017% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.74 +/- 0.73   0.011% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  17.87 +/- 1.24   0.002% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.892, support = 4.41, residual support = 60.2:
    * O T QG1   VAL   43 - HA    VAL   43   2.45 +/- 0.20  77.591% * 95.4174% (0.90  10.0 10.00   4.44  60.89) =  98.772%  kept
          QD2   LEU   73 - HA    VAL   43   3.94 +/- 1.21  21.921% *  4.1982% (0.53   1.0  1.00   1.50   8.05) =   1.228%  kept
          QG1   VAL   41 - HA    VAL   43   6.87 +/- 0.47   0.169% *  0.1055% (0.99   1.0  1.00   0.02   1.90) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.22 +/- 0.66   0.152% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.30 +/- 0.88   0.060% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.39 +/- 0.53   0.051% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   9.15 +/- 0.65   0.033% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  10.83 +/- 1.49   0.014% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.30 +/- 1.03   0.010% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.9:
    * O T QG2   VAL   43 - HA    VAL   43   2.35 +/- 0.17  99.501% * 98.9143% (0.69  10.0 10.00   3.00  60.89) =  99.995%  kept
        T QD2   LEU   31 - HA    VAL   43   6.29 +/- 0.91   0.450% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - HA    VAL   43   9.09 +/- 1.38   0.049% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.9:
    * O T HA    VAL   43 - HB    VAL   43   3.00 +/- 0.04  99.936% * 99.8083% (0.97  10.0 10.00   3.30  60.89) = 100.000%  kept
          HA    LEU   71 - HB    VAL   43  11.27 +/- 1.01   0.049% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB    VAL   43  13.70 +/- 0.76   0.012% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.87 +/- 0.42   0.003% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.8, residual support = 60.9:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.323% * 97.7514% (0.87  10.0 10.00   3.80  60.89) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.36 +/- 0.44   0.062% *  1.0803% (0.96   1.0 10.00   0.02   1.90) =   0.001%
          QD2   LEU   73 - HB    VAL   43   5.94 +/- 1.13   0.533% *  0.0573% (0.51   1.0  1.00   0.02   8.05) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.50 +/- 0.68   0.014% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.46 +/- 0.94   0.031% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.34 +/- 1.17   0.011% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.43 +/- 0.49   0.014% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  10.91 +/- 1.29   0.007% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.32 +/- 0.69   0.005% *  0.0272% (0.24   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 = 60.9:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.793% * 98.9143% (0.66  10.0 10.00   2.89  60.89) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   6.63 +/- 0.75   0.150% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   8.48 +/- 2.00   0.057% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.44, residual support = 60.9:
    * O T HA    VAL   43 - QG1   VAL   43   2.45 +/- 0.20  99.907% * 99.8083% (0.90  10.0 10.00   4.44  60.89) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.46 +/- 0.83   0.072% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  10.62 +/- 0.66   0.017% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  13.32 +/- 0.59   0.004% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.8, residual support = 60.9:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  99.984% * 99.7401% (0.87  10.0 10.00   3.80  60.89) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.67 +/- 0.76   0.013% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.24 +/- 0.79   0.002% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  15.23 +/- 1.51   0.001% *  0.1024% (0.89   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 = 3.93, residual support = 60.9:
    * O T QG2   VAL   43 - QG1   VAL   43   2.06 +/- 0.04  96.972% * 98.9143% (0.62  10.0 10.00   3.93  60.89) =  99.968%  kept
        T QD2   LEU   31 - QG1   VAL   43   4.06 +/- 0.79   2.937% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.032%
          QG2   VAL   83 - QG1   VAL   43   7.32 +/- 1.68   0.091% *  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 = 60.9:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.827% * 99.3815% (0.66  10.0 10.00   2.89  60.89) = 100.000%  kept
        T HB    VAL   43 - QD2   LEU   31   6.63 +/- 0.75   0.150% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.73 +/- 1.00   0.004% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.01 +/- 1.20   0.012% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  13.55 +/- 1.49   0.002% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.43 +/- 0.67   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.52 +/- 1.30   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  16.99 +/- 2.19   0.000% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.541, support = 4.23, residual support = 87.6:
    * O T QG1   VAL   43 - QG2   VAL   43   2.06 +/- 0.04  47.223% * 80.9559% (0.62  10.0 10.00   3.93  60.89) =  84.332%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  39.883% * 17.7908% (0.14  10.0 10.00   5.85 231.76) =  15.652%  kept
        T QG1   VAL   43 - QD2   LEU   31   4.06 +/- 0.79   1.481% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   41 - QD2   LEU   31   3.48 +/- 0.90   6.801% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   73 - QG2   VAL   43   4.59 +/- 1.27   3.217% *  0.0475% (0.36   1.0  1.00   0.02   8.05) =   0.003%
        T HG    LEU   31 - QG2   VAL   43   6.75 +/- 0.83   0.055% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD2   LEU   31   4.16 +/- 0.71   1.141% *  0.0136% (0.10   1.0  1.00   0.02   3.25) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.63 +/- 0.69   0.059% *  0.0895% (0.68   1.0  1.00   0.02   1.90) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.84 +/- 0.52   0.040% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.54 +/- 0.57   0.022% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   7.00 +/- 0.90   0.042% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.84 +/- 0.63   0.009% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   9.47 +/- 1.45   0.007% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.54 +/- 1.01   0.006% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.03 +/- 1.02   0.004% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.20 +/- 0.80   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.42 +/- 1.09   0.006% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.13 +/- 1.07   0.001% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.7:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.88 +/- 0.17  99.688% * 97.1917% (1.00  10.0 10.00   2.68  38.66) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.54 +/- 0.84   0.185% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.54 +/- 1.36   0.005% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  11.00 +/- 1.06   0.044% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  18.84 +/- 1.76   0.002% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  10.73 +/- 1.53   0.063% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  13.54 +/- 0.67   0.010% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  26.73 +/- 1.33   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.90 +/- 0.61   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 38.7:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.67 +/- 0.28  98.056% * 98.4998% (1.00  10.0 10.00   4.11  38.66) =  99.998%  kept
          HB3   PRO   93 - HA    ASP-  44   6.90 +/- 1.11   1.633% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ASP-  44   8.29 +/- 1.20   0.199% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44  11.91 +/- 0.69   0.016% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.61 +/- 1.72   0.041% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  13.93 +/- 2.70   0.011% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.77 +/- 1.06   0.027% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  13.84 +/- 1.45   0.007% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.72 +/- 0.82   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.33 +/- 1.08   0.002% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.43 +/- 0.89   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.83 +/- 1.25   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.41 +/- 1.03   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.7:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.88 +/- 0.17  99.733% * 98.1053% (1.00  10.0 10.00   2.68  38.66) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.78 +/- 1.18   0.213% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.77 +/- 0.47   0.023% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.71 +/- 0.71   0.009% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  18.05 +/- 1.07   0.002% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.05 +/- 0.64   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.82 +/- 0.58   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.10 +/- 1.17   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  27.09 +/- 1.42   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  19.05 +/- 0.53   0.001% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  19.08 +/- 0.92   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.79 +/- 1.32   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.72, residual support = 38.7:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.921% * 99.2040% (1.00  10.0 10.00   2.72  38.66) = 100.000%  kept
          HB3   PRO   93 - HB2   ASP-  44   8.19 +/- 1.50   0.043% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   ASP-  44   7.24 +/- 1.13   0.032% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.58 +/- 1.48   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  12.82 +/- 0.60   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  14.42 +/- 2.46   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.65 +/- 0.97   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.80 +/- 0.96   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.91 +/- 1.54   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.39 +/- 0.99   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.41 +/- 0.88   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.91 +/- 1.61   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.75 +/- 1.24   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 38.7:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.67 +/- 0.28  99.762% * 99.3093% (1.00  10.0 10.00   4.11  38.66) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   8.06 +/- 1.39   0.186% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.02 +/- 0.72   0.030% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  13.77 +/- 1.02   0.008% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  14.28 +/- 0.88   0.005% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.93 +/- 1.39   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  18.47 +/- 0.67   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  17.06 +/- 0.56   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  18.75 +/- 1.05   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.18 +/- 1.25   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.93 +/- 1.52   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  28.24 +/- 1.64   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.72, residual support = 38.7:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.971% * 99.4398% (1.00  10.0 10.00   2.72  38.66) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.49 +/- 0.91   0.024% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  11.23 +/- 1.90   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  14.13 +/- 0.67   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.61 +/- 1.38   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  11.63 +/- 1.34   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.53 +/- 2.04   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.99 +/- 1.41   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.59 +/- 1.54   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.7:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.01  99.890% * 99.8680% (1.00  10.0 10.00   3.31  80.71) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.94 +/- 0.83   0.100% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.02 +/- 1.37   0.010% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.7:
    * O T HB3   PHE   45 - HA    PHE   45   2.60 +/- 0.08  99.964% * 99.6736% (1.00  10.0 10.00   4.00  80.71) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  11.01 +/- 0.38   0.018% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  12.49 +/- 0.89   0.009% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  15.69 +/- 2.11   0.003% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  18.00 +/- 0.76   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.73 +/- 1.10   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  18.69 +/- 1.35   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.7:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.01  99.986% * 99.9145% (1.00  10.0 10.00   3.31  80.71) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.87 +/- 0.59   0.012% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.80 +/- 1.38   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.7:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.992% * 99.6736% (1.00  10.0 10.00   3.31  80.71) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.13 +/- 0.65   0.006% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.06 +/- 2.06   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  12.29 +/- 1.17   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  14.64 +/- 1.15   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.85 +/- 1.08   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.85 +/- 1.36   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.7:
    * O T HA    PHE   45 - HB3   PHE   45   2.60 +/- 0.08  99.996% * 99.9145% (1.00  10.0 10.00   4.00  80.71) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.70 +/- 0.31   0.003% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.29 +/- 1.28   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.7:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.998% * 99.8680% (1.00  10.0 10.00   3.31  80.71) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.64 +/- 1.41   0.001% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  12.03 +/- 0.83   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.51 +/- 0.11  99.993% * 98.0423% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.75 +/- 1.16   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.59 +/- 1.37   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  17.90 +/- 3.19   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.67 +/- 2.34   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.56 +/- 1.16   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.16 +/- 1.56   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.32 +/- 1.04   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  31.37 +/- 1.53   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   3.09 +/- 0.32  98.700% * 97.3989% (1.00  10.0 10.00   3.00  34.52) =  99.999%  kept
          QG2   VAL   18 - HA    THR   46   8.84 +/- 1.03   0.301% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.05 +/- 0.41   0.381% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   9.30 +/- 1.37   0.298% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.13 +/- 0.82   0.094% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  10.71 +/- 1.14   0.090% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  12.87 +/- 0.97   0.024% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.68 +/- 0.74   0.016% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.23 +/- 0.97   0.020% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.50 +/- 0.85   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.46 +/- 0.80   0.011% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  20.73 +/- 1.59   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  15.68 +/- 0.80   0.007% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.17 +/- 0.61   0.008% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  14.75 +/- 1.52   0.012% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.73 +/- 0.60   0.024% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  18.09 +/- 1.05   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.07 +/- 1.13   0.003% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.45 +/- 1.46   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.67 +/- 0.87   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  20.20 +/- 1.66   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.51 +/- 0.11  99.975% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.54 +/- 1.43   0.014% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  13.85 +/- 1.97   0.005% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.14 +/- 0.87   0.005% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.59 +/- 1.37   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.67 +/- 2.34   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.45 +/- 1.83   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.22 +/- 1.03   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  99.876% * 99.5878% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.51 +/- 1.68   0.108% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.99 +/- 0.78   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.07 +/- 1.30   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.69 +/- 1.07   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.34 +/- 1.26   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.11 +/- 1.24   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   3.09 +/- 0.32  99.845% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    GLN   17 - QG2   THR   46  12.05 +/- 1.03   0.039% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG2   THR   46  10.95 +/- 1.24   0.060% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.56 +/- 0.52   0.041% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.50 +/- 0.85   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  20.73 +/- 1.59   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.70 +/- 1.06   0.007% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.57 +/- 0.60   0.005% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  99.998% * 99.8459% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  14.10 +/- 1.17   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.58 +/- 1.06   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.9:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.995% * 99.0048% (0.95  10.0 10.00   2.00  10.89) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.65 +/- 0.41   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  13.94 +/- 0.92   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.15 +/- 1.69   0.001% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.918, support = 2.04, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  50.989% * 93.3043% (0.95  10.0 10.00   2.00  10.89) =  94.554%  kept
          HA    CYS   50 - QB    ALA   47   2.28 +/- 0.56  48.504% *  5.6486% (0.42   1.0  1.00   2.70   7.19) =   5.445%  kept
          HA    TRP   49 - QB    ALA   47   4.77 +/- 0.08   0.421% *  0.0259% (0.26   1.0  1.00   0.02  14.74) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.72 +/- 2.13   0.035% *  0.0915% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42   8.94 +/- 1.17   0.025% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.65 +/- 0.41   0.001% *  0.7146% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.14 +/- 2.15   0.019% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.22 +/- 1.25   0.003% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.24 +/- 0.75   0.003% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.40 +/- 0.80   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.48 +/- 0.99   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.10 +/- 0.66   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.81, residual support = 9.65:
    * O T QB    SER   48 - HA    SER   48   2.30 +/- 0.07  99.051% * 96.0221% (1.00  10.0 10.00   1.81   9.65) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.33 +/- 0.33   0.731% *  0.2561% (0.27   1.0 10.00   0.02   2.00) =   0.002%
        T QB    SER   85 - HA    SER   48  13.08 +/- 2.18   0.005% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  12.58 +/- 1.93   0.007% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    SER   48   9.01 +/- 0.72   0.033% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   8.81 +/- 1.80   0.143% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.91 +/- 0.93   0.004% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.61 +/- 1.08   0.012% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  16.94 +/- 1.38   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  22.07 +/- 1.06   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.91 +/- 1.99   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  16.26 +/- 2.55   0.001% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.36 +/- 1.58   0.002% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.94 +/- 2.06   0.002% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.34 +/- 1.12   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.77 +/- 0.70   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.50 +/- 1.06   0.005% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  27.25 +/- 2.56   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.81 +/- 1.13   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  21.53 +/- 1.59   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  26.75 +/- 1.43   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.59 +/- 1.98   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.73 +/- 0.85   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.90 +/- 0.89   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.86 +/- 1.73   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  27.30 +/- 1.04   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.74 +/- 1.73   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  32.21 +/- 3.10   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.66 +/- 1.18   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  32.98 +/- 2.18   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 87.1:
    * O T HB2   TRP   49 - HA    TRP   49   2.38 +/- 0.15  99.472% * 96.9997% (1.00  10.0 10.00   4.15  87.07) =  99.995%  kept
        T HB2   TRP   49 - HA    CYS   50   6.06 +/- 0.34   0.458% *  0.9143% (0.94   1.0 10.00   0.02   2.91) =   0.004%
        T HA2   GLY  109 - HA    CYS   50  12.21 +/- 2.87   0.046% *  0.7321% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  15.83 +/- 3.41   0.009% *  0.7767% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  12.93 +/- 1.25   0.005% *  0.0865% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  13.57 +/- 1.69   0.004% *  0.0918% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.02 +/- 1.19   0.004% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  18.84 +/- 1.04   0.000% *  0.0906% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.03 +/- 1.13   0.000% *  0.0906% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.42 +/- 1.29   0.001% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.63 +/- 1.05   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.77 +/- 1.40   0.000% *  0.0961% (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 = 4.14, residual support = 86.2:
    * O T HB3   TRP   49 - HA    TRP   49   2.51 +/- 0.19  98.921% * 51.4295% (0.84  10.0 10.00   4.15  87.07) =  98.991%  kept
        T HB3   TRP   49 - HA    CYS   50   5.66 +/- 0.46   1.070% * 48.4748% (0.79   1.0 10.00   3.30   2.91) =   1.009%  kept
          HB3   PHE   59 - HA    CYS   50  12.56 +/- 1.04   0.008% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.29 +/- 0.98   0.001% *  0.0493% (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 = 4.15, residual support = 87.1:
    * O T HA    TRP   49 - HB2   TRP   49   2.38 +/- 0.15  99.339% * 97.9260% (1.00  10.0 10.00   4.15  87.07) =  99.995%  kept
        T HA    CYS   50 - HB2   TRP   49   6.06 +/- 0.34   0.457% *  0.9263% (0.95   1.0 10.00   0.02   2.91) =   0.004%
        T HA1   GLY  109 - HB2   TRP   49  16.42 +/- 3.60   0.012% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HB2   TRP   49   7.06 +/- 0.50   0.189% *  0.0272% (0.28   1.0  1.00   0.02  14.74) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.05 +/- 3.02   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  22.71 +/- 1.41   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  31.37 +/- 2.55   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 87.1:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  87.07) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.94 +/- 1.24   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.15, residual support = 87.1:
    * O T HA    TRP   49 - HB3   TRP   49   2.51 +/- 0.19  98.708% * 98.7661% (0.84  10.0 10.00   4.15  87.07) =  99.990%  kept
        T HA    CYS   50 - HB3   TRP   49   5.66 +/- 0.46   1.066% *  0.9343% (0.79   1.0 10.00   0.02   2.91) =   0.010%
          HA    ALA   47 - HB3   TRP   49   7.15 +/- 0.28   0.215% *  0.0275% (0.23   1.0  1.00   0.02  14.74) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  15.92 +/- 3.34   0.009% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.68 +/- 2.65   0.002% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  23.02 +/- 1.43   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  31.25 +/- 2.21   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 87.1:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.996% * 99.6151% (0.84  10.0 10.00   3.00  87.07) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  14.85 +/- 3.44   0.003% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  13.61 +/- 1.38   0.001% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.56 +/- 1.21   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  23.82 +/- 1.39   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.63 +/- 1.67   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.62, residual support = 7.59:
    * O T QB    CYS   50 - HA    CYS   50   2.25 +/- 0.14  98.108% * 51.3514% (1.00  10.0 10.00   1.60   7.67) =  98.352%  kept
        T QB    CYS   50 - HA    TRP   49   4.66 +/- 0.34   1.744% * 48.4012% (0.94   1.0 10.00   3.12   2.91) =   1.648%  kept
          QE    LYS+  74 - HA    CYS   50   9.62 +/- 1.61   0.040% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.29 +/- 2.45   0.071% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50   9.81 +/- 1.87   0.032% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.86 +/- 1.55   0.004% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  16.73 +/- 1.22   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.63 +/- 1.11   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  27.41 +/- 1.40   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.58 +/- 1.08   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.6, residual support = 7.67:
    * O T HA    CYS   50 - QB    CYS   50   2.25 +/- 0.14  97.633% * 98.7658% (1.00  10.0 10.00   1.60   7.67) =  99.983%  kept
        T HA    TRP   49 - QB    CYS   50   4.66 +/- 0.34   1.736% *  0.9343% (0.95   1.0 10.00   0.02   2.91) =   0.017%
          HA    ALA   47 - QB    CYS   50   5.63 +/- 0.52   0.615% *  0.0443% (0.45   1.0  1.00   0.02   7.19) =   0.000%
          HA1   GLY  109 - QB    CYS   50  13.19 +/- 2.73   0.009% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  12.98 +/- 2.15   0.006% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  17.32 +/- 1.25   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  25.17 +/- 1.27   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.04, residual support = 222.8:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  92.065% * 99.8323% (1.00  10.0 10.00   7.04 222.80) =  99.997%  kept
          HA    ALA   91 - HD2   PRO   52   7.23 +/- 1.73   7.702% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HD2   PRO   52  11.88 +/- 1.53   0.186% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.82 +/- 1.26   0.044% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  22.38 +/- 1.42   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.16 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 222.8:
    * O T HB2   PRO   52 - HD2   PRO   52   4.01 +/- 0.07  99.970% * 99.5699% (1.00  10.0 10.00   6.50 222.80) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.83 +/- 1.55   0.012% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.04 +/- 0.71   0.018% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.8:
    * O T HB3   PRO   52 - HD2   PRO   52   3.88 +/- 0.07  89.459% * 98.1836% (1.00  10.0 10.00   6.59 222.80) =  99.996%  kept
          HG2   PRO   93 - HD2   PRO   52   7.16 +/- 2.08   6.120% *  0.0303% (0.31   1.0  1.00   0.02   0.46) =   0.002%
          HG2   ARG+  54 - HD2   PRO   52   7.02 +/- 0.48   2.827% *  0.0368% (0.38   1.0  1.00   0.02   1.76) =   0.001%
          HB3   GLN   90 - HD2   PRO   52   9.07 +/- 1.81   1.530% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  15.88 +/- 2.04   0.042% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.02 +/- 1.65   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.04 +/- 0.98   0.007% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.32 +/- 1.21   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.09 +/- 1.36   0.002% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.20 +/- 1.28   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.89 +/- 1.00   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.14 +/- 1.55   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  26.76 +/- 1.71   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.42 +/- 1.21   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 222.8:
    * O T HG2   PRO   52 - HD2   PRO   52   2.53 +/- 0.28  99.564% * 99.6094% (1.00  10.0 10.00   6.43 222.80) = 100.000%  kept
          HG2   MET   92 - HD2   PRO   52   7.20 +/- 1.47   0.422% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD2   PRO   52  13.58 +/- 1.40   0.006% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.32 +/- 2.08   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.19 +/- 0.38   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  25.79 +/- 1.41   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.90 +/- 1.76   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 222.8:
    * O T HG3   PRO   52 - HD2   PRO   52   2.64 +/- 0.28  99.762% * 98.5427% (1.00  10.0 10.00   6.43 222.80) = 100.000%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.49 +/- 0.34   0.010% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   52   8.44 +/- 1.89   0.226% *  0.0304% (0.31   1.0  1.00   0.02   0.46) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  27.39 +/- 1.22   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  19.65 +/- 1.30   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.34 +/- 2.59   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.59 +/- 1.36   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  39.43 +/- 2.53   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 222.8:
    * O T HB2   PRO   52 - HA    PRO   52   2.37 +/- 0.15  99.998% * 99.5699% (1.00  10.0 10.00   5.15 222.80) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.46 +/- 1.67   0.000% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.40 +/- 0.71   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 222.8:
    * O T HB3   PRO   52 - HA    PRO   52   2.67 +/- 0.15  97.897% * 99.2796% (1.00  10.0 10.00   6.13 222.80) =  99.999%  kept
          HG2   PRO   93 - HA    PRO   52   6.48 +/- 1.92   1.242% *  0.0306% (0.31   1.0  1.00   0.02   0.46) =   0.000%
          HG2   ARG+  54 - HA    PRO   52   6.47 +/- 0.77   0.818% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   GLN   90 - HA    PRO   52  11.95 +/- 2.21   0.038% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  19.06 +/- 2.06   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.87 +/- 1.06   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.04 +/- 1.87   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.99 +/- 1.21   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.55 +/- 1.31   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.02 +/- 1.47   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.34 +/- 1.45   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  25.88 +/- 1.67   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.52 +/- 1.20   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.50 +/- 1.13   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.8:
    * O T HG2   PRO   52 - HA    PRO   52   3.94 +/- 0.04  96.280% * 99.6094% (1.00  10.0 10.00   5.98 222.80) =  99.998%  kept
          HG2   MET   92 - HA    PRO   52   8.62 +/- 1.86   3.394% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    PRO   52  11.86 +/- 1.46   0.194% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.03 +/- 0.43   0.122% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.49 +/- 1.70   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  28.70 +/- 1.27   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  36.03 +/- 1.86   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.35 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 222.8:
    * O T HG3   PRO   52 - HA    PRO   52   3.92 +/- 0.04  97.873% * 98.7160% (1.00  10.0 10.00   5.97 222.80) =  99.996%  kept
        T HG2   PRO   58 - HA    PRO   52  10.00 +/- 0.44   0.368% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - HA    PRO   52   8.34 +/- 1.79   1.753% *  0.0305% (0.31   1.0  1.00   0.02   0.46) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  30.19 +/- 2.24   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  22.26 +/- 1.29   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  26.95 +/- 1.34   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.88 +/- 1.21   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  40.10 +/- 2.07   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.80 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.04, residual support = 222.8:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.764% * 99.4673% (1.00  10.0 10.00   7.04 222.80) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.43 +/- 0.40   0.183% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  17.42 +/- 1.80   0.020% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.29 +/- 1.47   0.009% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  20.69 +/- 0.98   0.005% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  20.29 +/- 1.42   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.56 +/- 1.49   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.28 +/- 1.98   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  24.98 +/- 1.60   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.95 +/- 1.31   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.41 +/- 1.23   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.64 +/- 1.31   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.76 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 222.8:
    * O T HA    PRO   52 - HB2   PRO   52   2.37 +/- 0.15  95.980% * 99.4915% (1.00  10.0 10.00   5.15 222.80) =  99.999%  kept
          HA    ALA   91 - HB2   PRO   52   8.82 +/- 2.54   3.885% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HB2   PRO   52   8.82 +/- 1.56   0.060% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.13 +/- 1.38   0.061% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.46 +/- 1.67   0.000% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  13.02 +/- 1.41   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.71 +/- 1.12   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.96 +/- 1.69   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.72 +/- 1.13   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.13 +/- 1.97   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.8:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  98.124% * 98.7825% (1.00  10.0 10.00   6.18 222.80) =  99.999%  kept
          HG2   PRO   93 - HB2   PRO   52   6.03 +/- 2.51   1.207% *  0.0305% (0.31   1.0  1.00   0.02   0.46) =   0.000%
          HG12  ILE  103 - HG2   MET   96   4.65 +/- 0.79   0.525% *  0.0260% (0.26   1.0  1.00   0.02   8.25) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.00 +/- 1.95   0.052% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.28 +/- 0.59   0.056% *  0.0119% (0.12   1.0  1.00   0.02   8.25) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.50 +/- 0.69   0.009% *  0.0371% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.37 +/- 1.05   0.015% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  10.92 +/- 2.47   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.46 +/- 1.63   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  18.49 +/- 2.42   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.32 +/- 0.53   0.005% *  0.0045% (0.05   1.0  1.00   0.02   0.14) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.97 +/- 1.13   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.69 +/- 1.30   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.60 +/- 1.63   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  17.57 +/- 2.18   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.63 +/- 1.90   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  19.41 +/- 2.29   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.73 +/- 1.13   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.67 +/- 1.67   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.48 +/- 1.56   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.70 +/- 2.10   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.91 +/- 2.39   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.38 +/- 1.76   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.29 +/- 1.92   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  26.61 +/- 2.19   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  18.89 +/- 1.51   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.83 +/- 1.47   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.46 +/- 1.66   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 222.8:
    * O T HG2   PRO   52 - HB2   PRO   52   2.71 +/- 0.30  94.058% * 99.2053% (1.00  10.0 10.00   6.10 222.80) =  99.996%  kept
          HG2   MET   92 - HB2   PRO   52   7.23 +/- 2.51   5.843% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU- 114 - HB2   PRO   52  11.23 +/- 1.55   0.029% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.79 +/- 2.47   0.049% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.87 +/- 1.80   0.002% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.59 +/- 0.55   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.02 +/- 1.59   0.006% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.38 +/- 2.37   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  17.65 +/- 1.49   0.002% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  18.67 +/- 1.24   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.89 +/- 1.49   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.13 +/- 1.93   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.48 +/- 1.44   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.85 +/- 2.22   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 222.8:
    * O T HG3   PRO   52 - HB2   PRO   52   2.53 +/- 0.30  99.618% * 98.0617% (1.00  10.0 10.00   6.09 222.80) = 100.000%  kept
        T HG2   PRO   58 - HB2   PRO   52  11.49 +/- 0.60   0.014% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   52   8.06 +/- 2.34   0.339% *  0.0303% (0.31   1.0  1.00   0.02   0.46) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  18.21 +/- 1.68   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.89 +/- 1.51   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.24 +/- 1.06   0.013% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  12.37 +/- 1.47   0.010% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.73 +/- 1.34   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.49 +/- 1.71   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  21.55 +/- 1.92   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.39 +/- 1.32   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  31.01 +/- 2.48   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.68 +/- 1.72   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.54 +/- 1.78   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  32.28 +/- 2.48   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  40.94 +/- 2.27   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 222.8:
    * O T HD2   PRO   52 - HB2   PRO   52   4.01 +/- 0.07  99.522% * 99.0230% (1.00  10.0 10.00   6.50 222.80) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.70 +/- 0.64   0.169% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.83 +/- 1.55   0.012% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.11 +/- 2.02   0.037% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.11 +/- 1.58   0.043% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  18.33 +/- 1.81   0.015% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.76 +/- 0.94   0.043% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  18.56 +/- 2.14   0.013% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.84 +/- 1.20   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  18.18 +/- 2.54   0.016% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  15.93 +/- 1.38   0.030% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.94 +/- 1.69   0.009% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.49 +/- 2.57   0.005% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.90 +/- 1.87   0.006% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.12 +/- 1.06   0.009% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  19.16 +/- 3.28   0.014% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  16.92 +/- 1.81   0.021% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.93 +/- 1.58   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.15 +/- 1.14   0.007% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.22 +/- 1.35   0.018% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.95 +/- 1.76   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.51 +/- 1.92   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  30.01 +/- 1.95   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  32.48 +/- 1.86   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 222.8:
    * O T HA    PRO   52 - HB3   PRO   52   2.67 +/- 0.15  98.770% * 99.6990% (1.00  10.0 10.00   6.13 222.80) = 100.000%  kept
          HA    ALA   91 - HB3   PRO   52   8.31 +/- 2.10   0.957% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB3   PRO   52   8.33 +/- 1.45   0.232% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.04 +/- 1.22   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  19.06 +/- 2.06   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  12.05 +/- 1.56   0.018% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  16.31 +/- 2.74   0.003% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.01 +/- 1.52   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  23.30 +/- 2.04   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  22.07 +/- 1.64   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.8:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.18 222.80) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  17.46 +/- 1.63   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  18.49 +/- 2.42   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.65 +/- 0.84   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  19.41 +/- 2.29   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  25.60 +/- 1.12   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.8:
    * O T HG2   PRO   52 - HB3   PRO   52   2.49 +/- 0.25  95.722% * 99.4355% (1.00  10.0 10.00   6.16 222.80) =  99.997%  kept
          HG2   MET   92 - HB3   PRO   52   6.66 +/- 2.23   4.051% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HB3   PRO   52  10.62 +/- 1.35   0.036% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   7.86 +/- 0.83   0.154% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  16.41 +/- 2.35   0.005% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  12.84 +/- 3.51   0.019% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  17.62 +/- 2.05   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  12.95 +/- 0.64   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.25 +/- 2.21   0.006% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  27.20 +/- 1.38   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  21.75 +/- 2.00   0.000% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.76 +/- 1.21   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.66 +/- 1.87   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  28.25 +/- 3.08   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 222.8:
    * O T HG3   PRO   52 - HB3   PRO   52   2.64 +/- 0.25  99.194% * 98.1909% (1.00  10.0 10.00   6.15 222.80) =  99.997%  kept
        T HB2   PRO   93 - HB3   PRO   52   6.95 +/- 2.04   0.727% *  0.3031% (0.31   1.0 10.00   0.02   0.46) =   0.002%
        T HG2   PRO   58 - HB3   PRO   52  10.90 +/- 0.65   0.025% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  16.67 +/- 2.46   0.003% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  11.12 +/- 3.48   0.049% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  24.08 +/- 1.22   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  20.58 +/- 1.44   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  17.30 +/- 1.24   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.97 +/- 2.49   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  26.63 +/- 1.46   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.51 +/- 1.33   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  20.15 +/- 2.94   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.69 +/- 1.82   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  39.94 +/- 2.37   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  35.45 +/- 3.00   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  30.00 +/- 1.19   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.8:
    * O T HD2   PRO   52 - HB3   PRO   52   3.88 +/- 0.07  44.186% * 97.9761% (1.00  10.0 10.00   6.59 222.80) =  99.993%  kept
          QB    SER   85 - QB    LYS+  81   4.01 +/- 0.52  40.232% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.005%
          HB2   SER   82 - QB    LYS+  81   4.81 +/- 0.55  14.580% *  0.0038% (0.04   1.0  1.00   0.02  19.31) =   0.001%
          HA    ALA   88 - QB    LYS+  81   7.88 +/- 0.50   0.677% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   PRO   52  11.29 +/- 0.43   0.076% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  15.88 +/- 2.04   0.023% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  11.15 +/- 1.93   0.186% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  15.79 +/- 1.61   0.013% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  17.96 +/- 1.46   0.006% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  30.34 +/- 1.44   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  23.44 +/- 3.37   0.001% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  19.45 +/- 3.28   0.004% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  20.88 +/- 1.14   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  19.80 +/- 1.64   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  21.85 +/- 2.21   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  28.89 +/- 1.42   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.10 +/- 1.42   0.002% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  24.92 +/- 1.71   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.29 +/- 1.47   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  25.02 +/- 2.97   0.001% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  20.24 +/- 1.21   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  26.12 +/- 1.06   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.70 +/- 1.24   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  30.36 +/- 1.40   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.67 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.8:
    * O T HA    PRO   52 - HG2   PRO   52   3.94 +/- 0.04  86.094% * 99.8323% (1.00  10.0 10.00   5.98 222.80) =  99.995%  kept
          HA    ALA   91 - HG2   PRO   52   6.97 +/- 2.07  13.271% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+ 111 - HG2   PRO   52  10.25 +/- 1.67   0.552% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  13.41 +/- 1.36   0.081% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.66 +/- 1.57   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 222.8:
    * O T HB2   PRO   52 - HG2   PRO   52   2.71 +/- 0.30  99.996% * 99.5699% (1.00  10.0 10.00   6.10 222.80) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.87 +/- 1.80   0.002% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.29 +/- 0.73   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.8:
    * O T HB3   PRO   52 - HG2   PRO   52   2.49 +/- 0.25  97.862% * 99.2796% (1.00  10.0 10.00   6.16 222.80) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   6.16 +/- 2.38   1.735% *  0.0306% (0.31   1.0  1.00   0.02   0.46) =   0.001%
          HB3   GLN   90 - HG2   PRO   52   8.86 +/- 2.21   0.334% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   52   8.75 +/- 0.42   0.061% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  16.41 +/- 2.35   0.005% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.20 +/- 1.26   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.60 +/- 1.80   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.07 +/- 1.57   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.90 +/- 1.62   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.74 +/- 1.24   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.94 +/- 1.77   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  26.91 +/- 1.81   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.49 +/- 1.28   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.51 +/- 1.46   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 222.8:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.970% * 98.7160% (1.00  10.0 10.00   5.99 222.80) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.81 +/- 2.16   0.029% *  0.0305% (0.31   1.0  1.00   0.02   0.46) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.76 +/- 0.59   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  19.67 +/- 1.56   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  30.30 +/- 2.38   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  27.84 +/- 1.32   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.37 +/- 1.39   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  40.35 +/- 2.37   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 222.8:
    * O T HD2   PRO   52 - HG2   PRO   52   2.53 +/- 0.28  99.948% * 99.4673% (1.00  10.0 10.00   6.43 222.80) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.66 +/- 0.79   0.039% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  14.02 +/- 1.57   0.007% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.33 +/- 1.56   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.25 +/- 2.37   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.00 +/- 1.13   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  20.18 +/- 1.57   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  25.75 +/- 1.61   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.03 +/- 1.50   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.32 +/- 1.47   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.50 +/- 1.49   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.41 +/- 1.42   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 = 222.8:
    * O T HA    PRO   52 - HG3   PRO   52   3.92 +/- 0.04  86.803% * 98.8988% (1.00  10.0 10.00   5.97 222.80) =  99.992%  kept
          HA    ALA   91 - HG3   PRO   52   7.21 +/- 2.48  11.933% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HA    PRO   52 - HG2   PRO   58  10.00 +/- 0.44   0.331% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG3   PRO   52  10.33 +/- 1.62   0.485% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  11.05 +/- 1.55   0.275% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  12.96 +/- 1.23   0.085% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.65 +/- 1.37   0.062% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  16.22 +/- 1.83   0.023% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.03 +/- 2.27   0.002% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  23.40 +/- 0.81   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.32 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 222.8:
    * O T HB2   PRO   52 - HG3   PRO   52   2.53 +/- 0.30  99.434% * 98.4337% (1.00  10.0 10.00   6.09 222.80) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.50 +/- 0.69   0.549% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.49 +/- 0.60   0.014% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  18.21 +/- 1.68   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.89 +/- 1.51   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.52 +/- 1.13   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 222.8:
    * O T HB3   PRO   52 - HG3   PRO   52   2.64 +/- 0.25  96.436% * 97.4419% (1.00  10.0 10.00   6.15 222.80) =  99.990%  kept
        T HG2   PRO   93 - HG3   PRO   52   6.52 +/- 2.55   2.980% *  0.3008% (0.31   1.0 10.00   0.02   0.46) =   0.010%
        T HB3   PRO   52 - HG2   PRO   58  10.90 +/- 0.65   0.024% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58   9.90 +/- 1.04   0.048% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.90 +/- 2.03   0.062% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52   9.14 +/- 2.52   0.214% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.96 +/- 0.99   0.112% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.90 +/- 0.60   0.076% *  0.0366% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.26 +/- 1.03   0.038% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  16.67 +/- 2.46   0.002% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.51 +/- 1.33   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.93 +/- 1.33   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.39 +/- 1.47   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.83 +/- 1.66   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.38 +/- 1.53   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.25 +/- 1.04   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  24.08 +/- 1.22   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.22 +/- 1.24   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.02 +/- 1.42   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.23 +/- 2.00   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  19.62 +/- 1.90   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.23 +/- 1.60   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.03 +/- 1.25   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.17 +/- 2.27   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.71 +/- 0.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.05 +/- 1.15   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.77 +/- 1.40   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.80 +/- 1.91   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.983, support = 5.96, residual support = 221.3:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.966% * 86.8129% (1.00  10.0 10.00   5.99 222.80) =  98.044%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.44 +/- 0.26  13.725% * 10.8440% (0.12  10.0 10.00   4.28 147.14) =   1.955%  kept
          HG2   MET   92 - HG3   PRO   52   6.19 +/- 2.37   0.305% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.76 +/- 0.59   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.35 +/- 1.38   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.27 +/- 1.47   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.85 +/- 0.65   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.17 +/- 1.94   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.65 +/- 2.79   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.43 +/- 1.20   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  32.44 +/- 1.87   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.22 +/- 2.37   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.47 +/- 2.18   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.47 +/- 0.98   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 = 6.43, residual support = 222.8:
    * O T HD2   PRO   52 - HG3   PRO   52   2.64 +/- 0.28  99.902% * 96.1754% (1.00  10.0 10.00   6.43 222.80) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.49 +/- 0.34   0.010% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.91 +/- 0.85   0.040% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  14.33 +/- 1.74   0.005% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.91 +/- 0.44   0.009% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.12 +/- 1.79   0.023% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.92 +/- 1.00   0.002% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.60 +/- 1.68   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  16.04 +/- 0.90   0.002% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  18.02 +/- 1.25   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.86 +/- 1.09   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.67 +/- 2.03   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.60 +/- 2.59   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.25 +/- 1.65   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.86 +/- 2.18   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.50 +/- 2.34   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.39 +/- 1.32   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.46 +/- 0.89   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.44 +/- 0.90   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.21 +/- 1.39   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.82 +/- 0.83   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  26.04 +/- 2.28   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.76 +/- 2.09   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.78 +/- 1.08   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.9:
    * O T HB2   CYS   53 - HA    CYS   53   2.96 +/- 0.10  97.986% * 99.5207% (1.00  10.0 10.00   2.96  43.92) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.25 +/- 0.03   1.116% *  0.0684% (0.69   1.0  1.00   0.02  53.82) =   0.001%
          HD2   PRO   58 - HA    CYS   53   6.65 +/- 0.64   0.895% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  20.49 +/- 1.38   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  17.72 +/- 1.09   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.07 +/- 1.17   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.10 +/- 1.16   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 = 43.9:
    * O T HB3   CYS   53 - HA    CYS   53   2.67 +/- 0.17  86.540% * 99.5685% (1.00  10.0 10.00   3.26  43.92) =  99.986%  kept
          HD3   PRO   93 - HA    CYS   53   4.87 +/- 1.65   8.417% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.009%
          QB    PHE   55 - HA    CYS   53   4.46 +/- 0.27   4.651% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    CYS   53   7.27 +/- 0.70   0.259% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    CYS   53   7.97 +/- 0.27   0.132% *  0.0987% (0.99   1.0  1.00   0.02  32.12) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.16 +/- 1.51   0.001% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.9:
    * O T HA    CYS   53 - HB2   CYS   53   2.96 +/- 0.10  99.992% * 98.9901% (1.00  10.0 10.00   2.96  43.92) = 100.000%  kept
        T HA    GLU-  25 - HB2   CYS   53  22.62 +/- 0.82   0.001% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  19.37 +/- 0.92   0.001% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  17.64 +/- 1.47   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.63 +/- 0.97   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.73 +/- 0.89   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.32, residual support = 43.9:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.757% * 99.5685% (1.00  10.0 10.00   3.32  43.92) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.39 +/- 1.65   0.164% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.24 +/- 0.16   0.049% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.14 +/- 0.37   0.023% *  0.0987% (0.99   1.0  1.00   0.02  32.12) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.09 +/- 0.82   0.006% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.00 +/- 1.64   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 43.9:
    * O T HA    CYS   53 - HB3   CYS   53   2.67 +/- 0.17  99.995% * 99.7562% (1.00  10.0 10.00   3.26  43.92) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  17.89 +/- 1.92   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.24 +/- 1.18   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.25 +/- 0.92   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.94 +/- 0.93   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.56 +/- 1.17   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.32, residual support = 43.9:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.888% * 99.6975% (1.00  10.0 10.00   3.32  43.92) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.73 +/- 0.67   0.100% *  0.0685% (0.69   1.0  1.00   0.02  53.82) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.15 +/- 0.75   0.012% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  16.52 +/- 0.89   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.60 +/- 1.41   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  18.99 +/- 1.19   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.66 +/- 1.18   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 157.6:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.79 +/- 0.07  96.213% * 98.6035% (1.00  10.0 10.00   4.81 157.64) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.72 +/- 0.77   1.803% *  0.0263% (0.27   1.0  1.00   0.02   8.89) =   0.001%
          HB2   PRO   93 - HA    LEU  115   8.21 +/- 2.83   1.683% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ARG+  54   8.89 +/- 1.33   0.152% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.70 +/- 0.70   0.129% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.63 +/- 0.79   0.005% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.04 +/- 2.09   0.005% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.17 +/- 1.37   0.005% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  25.56 +/- 2.11   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.63 +/- 1.04   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.36 +/- 2.41   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.55 +/- 1.04   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  24.47 +/- 1.02   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.96 +/- 1.14   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.22 +/- 1.43   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.28 +/- 1.71   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.11 +/- 1.20   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.33 +/- 1.38   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  35.40 +/- 2.07   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  35.29 +/- 1.92   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 = 4.74, residual support = 157.6:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.42 +/- 0.54  98.360% * 96.1276% (1.00  10.0 10.00   4.74 157.64) =  99.999%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.58 +/- 0.28   0.240% *  0.3608% (0.38   1.0 10.00   0.02   1.76) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.95 +/- 0.69   0.322% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   6.94 +/- 1.07   0.713% *  0.0122% (0.13   1.0  1.00   0.02   0.50) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.30 +/- 0.79   0.157% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   7.94 +/- 0.49   0.129% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  17.46 +/- 2.63   0.007% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  11.68 +/- 1.19   0.018% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.16 +/- 1.15   0.006% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  19.24 +/- 1.33   0.001% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  14.37 +/- 2.21   0.007% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.36 +/- 1.35   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.95 +/- 0.81   0.023% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.29 +/- 1.26   0.002% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.06 +/- 2.01   0.003% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.02 +/- 0.56   0.004% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  23.82 +/- 1.75   0.000% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.13 +/- 0.84   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.32 +/- 1.72   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.89 +/- 0.77   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.88 +/- 1.45   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.11 +/- 1.07   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.28 +/- 0.81   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.69 +/- 1.42   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.46 +/- 0.97   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  22.87 +/- 1.20   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.24 +/- 1.08   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  30.12 +/- 2.04   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.34, residual support = 149.1:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.79 +/- 0.60  67.197% * 73.7607% (1.00 10.00   4.37 157.64) =  93.835%  kept
          HB3   CYS   53 - HA    ARG+  54   5.13 +/- 0.46  12.562% * 14.0899% (0.99  1.00   3.85  32.12) =   3.351%  kept
          QB    PHE   55 - HA    ARG+  54   5.09 +/- 0.03  12.733% * 11.6609% (0.80  1.00   3.95   3.55) =   2.811%  kept
          HD3   PRO   93 - HA    ARG+  54   8.80 +/- 1.39   0.966% *  0.0662% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    LEU  115   6.32 +/- 0.83   4.902% *  0.0119% (0.16  1.00   0.02  28.15) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   8.51 +/- 0.57   0.660% *  0.0388% (0.53  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HA    LEU  115   9.06 +/- 0.98   0.525% *  0.0182% (0.25  1.00   0.02   4.69) =   0.000%
          HD3   PRO   93 - HA    LEU  115  10.67 +/- 1.56   0.354% *  0.0204% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.20 +/- 1.01   0.012% *  0.2270% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.77 +/- 1.04   0.057% *  0.0225% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.72 +/- 2.10   0.031% *  0.0197% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.50 +/- 1.26   0.003% *  0.0640% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 157.6:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.79 +/- 0.07  99.977% * 98.5625% (1.00  10.0 10.00   4.81 157.64) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.63 +/- 0.79   0.005% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  20.44 +/- 2.06   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.10 +/- 1.58   0.008% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.55 +/- 0.84   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  25.56 +/- 2.11   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.61 +/- 1.94   0.002% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  26.14 +/- 1.75   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.28 +/- 1.71   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  19.17 +/- 1.35   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.36 +/- 0.81   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  21.32 +/- 3.17   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.73 +/- 2.33   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.51 +/- 1.12   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.90 +/- 1.96   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  35.40 +/- 2.07   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.36 +/- 1.67   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.64 +/- 1.92   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  35.29 +/- 1.92   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.70 +/- 1.20   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  27.35 +/- 2.70   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  28.76 +/- 1.88   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  31.63 +/- 3.94   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.33 +/- 2.78   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  30.40 +/- 1.67   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  38.82 +/- 2.96   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.98 +/- 2.35   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 157.6:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.41 +/- 0.37  96.432% * 97.3460% (1.00  10.0 10.00   4.76 157.64) =  99.996%  kept
          QB    PHE   55 - HB2   ARG+  54   4.60 +/- 0.31   2.839% *  0.0779% (0.80   1.0  1.00   0.02   3.55) =   0.002%
          HB3   CYS   53 - HB2   ARG+  54   6.57 +/- 0.66   0.641% *  0.0965% (0.99   1.0  1.00   0.02  32.12) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54   9.65 +/- 1.29   0.062% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.30 +/- 0.58   0.021% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.55 +/- 1.69   0.004% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.67 +/- 1.35   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  21.42 +/- 2.72   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  27.96 +/- 2.02   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.96 +/- 1.98   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.53 +/- 2.81   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  22.75 +/- 1.69   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  37.55 +/- 2.51   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.85 +/- 1.75   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  38.09 +/- 2.15   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  35.70 +/- 2.60   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  34.48 +/- 1.61   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  32.16 +/- 1.75   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 157.6:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.79 +/- 0.60  99.958% * 99.0328% (1.00 10.00   4.37 157.64) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.20 +/- 1.01   0.022% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  21.13 +/- 2.10   0.009% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  27.02 +/- 2.25   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.17 +/- 1.09   0.008% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  28.36 +/- 1.11   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  30.34 +/- 1.47   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.65 +/- 2.10   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  36.53 +/- 1.67   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 4.76, residual support = 157.6:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.41 +/- 0.37  99.986% * 97.9068% (1.00  10.0 10.00   4.76 157.64) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  12.09 +/- 1.44   0.012% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.72 +/- 1.68   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  19.02 +/- 1.84   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  27.58 +/- 1.37   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  27.96 +/- 2.02   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.87 +/- 1.38   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  37.55 +/- 2.51   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  24.78 +/- 1.78   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.80 +/- 1.58   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 157.6:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.75 +/- 0.18  99.848% * 97.2335% (1.00  10.0 10.00   4.58 157.64) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.40 +/- 0.57   0.074% *  0.3649% (0.38   1.0 10.00   0.02   1.76) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.88 +/- 0.88   0.063% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  15.72 +/- 2.94   0.011% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.64 +/- 2.08   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  25.01 +/- 1.69   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.22 +/- 1.18   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.36 +/- 1.07   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.49 +/- 2.41   0.001% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  28.00 +/- 1.28   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.30 +/- 1.49   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.17 +/- 1.49   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  26.71 +/- 1.33   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  33.45 +/- 2.65   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 20.1:
    * O T QB    PHE   55 - HA    PHE   55   2.53 +/- 0.09  98.677% * 99.2105% (1.00  10.0 10.00   3.49  20.08) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.71 +/- 0.60   1.007% *  0.0794% (0.80   1.0  1.00   0.02   3.55) =   0.001%
          HB2   PHE   59 - HA    PHE   55   7.67 +/- 0.48   0.138% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   8.03 +/- 0.32   0.103% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   9.34 +/- 1.05   0.050% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.40 +/- 1.15   0.002% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.55 +/- 1.46   0.009% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.21 +/- 1.16   0.010% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.27 +/- 0.89   0.002% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.65 +/- 1.45   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.93 +/- 1.02   0.002% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.60 +/- 1.27   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 20.1:
    * O T HA    PHE   55 - QB    PHE   55   2.53 +/- 0.09  95.862% * 99.2581% (1.00  10.0 10.00   3.49  20.08) =  99.996%  kept
          HA    ALA  110 - QB    PHE   55   5.89 +/- 2.28   4.126% *  0.0861% (0.87   1.0  1.00   0.02   0.27) =   0.004%
          HA    GLN   90 - QB    PHE   55  13.60 +/- 1.77   0.010% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    PHE   55  16.40 +/- 1.15   0.002% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 122.6:
    * O T HB    ILE   56 - HA    ILE   56   2.51 +/- 0.24  99.155% * 98.8500% (1.00  10.0 10.00   4.41 122.60) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   5.85 +/- 0.30   0.709% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   8.24 +/- 0.73   0.101% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.72 +/- 1.29   0.019% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  12.60 +/- 1.15   0.010% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  14.88 +/- 1.16   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  16.76 +/- 1.56   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.80 +/- 1.63   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.36 +/- 1.03   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  21.87 +/- 1.25   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.77 +/- 1.29   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.73 +/- 0.92   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.61 +/- 1.76   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 122.6:
    * O   QG2   ILE   56 - HA    ILE   56   2.99 +/- 0.23  99.901% * 98.4757% (1.00  10.0  1.00   4.70 122.60) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  10.91 +/- 1.50   0.071% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  13.34 +/- 1.50   0.019% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  27.93 +/- 2.32   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.43 +/- 1.02   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.32 +/- 0.89   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  23.11 +/- 1.70   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  19.94 +/- 1.04   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  20.33 +/- 1.70   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.66 +/- 2.05   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 122.6:
    * O T QG1   ILE   56 - HA    ILE   56   2.79 +/- 0.36  99.939% * 97.9351% (1.00  10.0 10.00   3.76 122.60) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.10 +/- 1.46   0.008% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.78 +/- 1.44   0.047% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.72 +/- 1.34   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  19.90 +/- 1.29   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.83 +/- 0.99   0.002% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.27 +/- 1.35   0.003% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.08 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 122.6:
    * O T HA    ILE   56 - HB    ILE   56   2.51 +/- 0.24  99.849% * 98.4172% (1.00  10.0 10.00   4.41 122.60) = 100.000%  kept
        T HA    PRO   58 - HB    ILE   56   7.88 +/- 0.57   0.114% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB    ILE   56   9.76 +/- 1.33   0.034% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  16.92 +/- 1.71   0.001% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  20.94 +/- 1.33   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  19.92 +/- 1.33   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.54 +/- 1.43   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  22.08 +/- 1.58   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.60 +/- 1.77   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 122.6:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.981% * 98.4757% (1.00  10.0 10.00   5.53 122.60) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56   9.77 +/- 1.24   0.016% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  13.08 +/- 1.71   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  27.66 +/- 2.42   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.91 +/- 1.01   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.45 +/- 1.12   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.66 +/- 1.42   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.22 +/- 1.11   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.51 +/- 1.90   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.72 +/- 2.19   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 122.6:
    * O T QG1   ILE   56 - HB    ILE   56   2.24 +/- 0.09  99.939% * 98.7886% (1.00  10.0 10.00   4.48 122.60) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  12.72 +/- 1.38   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   8.94 +/- 1.67   0.055% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.58 +/- 1.10   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  16.30 +/- 1.29   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.76 +/- 1.56   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.23 +/- 1.24   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 = 5.53, residual support = 122.6:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.721% * 98.4311% (1.00  10.0 10.00   5.53 122.60) = 100.000%  kept
          HB2   MET   92 - QG2   ILE   56   7.29 +/- 1.15   0.082% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   6.81 +/- 0.50   0.100% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.27 +/- 0.36   0.064% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.09 +/- 0.93   0.023% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  11.69 +/- 1.22   0.004% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.94 +/- 0.94   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.73 +/- 1.71   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  16.22 +/- 1.26   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.40 +/- 1.48   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.97 +/- 1.10   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.59 +/- 1.66   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.96 +/- 1.29   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 = 122.6:
    * O T QG1   ILE   56 - QG2   ILE   56   2.25 +/- 0.17  99.682% * 98.7886% (1.00  10.0 10.00   4.70 122.60) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.42 +/- 1.10   0.012% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   6.53 +/- 1.34   0.297% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.33 +/- 1.32   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  12.37 +/- 1.02   0.004% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.07 +/- 1.47   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.77 +/- 1.33   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 = 122.6:
    * O T HA    ILE   56 - QG1   ILE   56   2.79 +/- 0.36  99.044% * 98.1263% (1.00  10.0 10.00   3.76 122.60) =  99.999%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.87 +/- 1.00   0.128% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.66 +/- 0.34   0.809% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.06 +/- 1.21   0.003% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.92 +/- 0.69   0.009% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.13 +/- 1.09   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.05 +/- 1.28   0.001% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.32 +/- 1.39   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.17 +/- 1.54   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 122.6:
    * O T HB    ILE   56 - QG1   ILE   56   2.24 +/- 0.09  99.797% * 98.6066% (1.00  10.0 10.00   4.48 122.60) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   8.95 +/- 1.04   0.038% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   7.25 +/- 0.36   0.090% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   8.80 +/- 0.93   0.034% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.90 +/- 0.67   0.029% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.22 +/- 0.91   0.008% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  13.97 +/- 1.10   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.01 +/- 1.13   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.02 +/- 1.14   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.22 +/- 1.69   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  18.33 +/- 1.48   0.000% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.53 +/- 0.98   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  21.91 +/- 1.47   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 122.6:
    * O T QG2   ILE   56 - QG1   ILE   56   2.25 +/- 0.17  99.949% * 98.4757% (1.00  10.0 10.00   4.70 122.60) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   8.91 +/- 0.83   0.035% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  10.70 +/- 1.70   0.012% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  23.07 +/- 2.04   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.54 +/- 0.88   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.11 +/- 0.97   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.62 +/- 1.38   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  16.38 +/- 0.88   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.94 +/- 1.74   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.93 +/- 1.84   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.928, support = 6.57, residual support = 143.3:
    * O T HA    PRO   58 - HD2   PRO   58   3.80 +/- 0.04  42.604% * 97.5353% (0.95  10.0 10.00   6.70 147.14) =  97.399%  kept
          HA    ILE   56 - HD2   PRO   58   3.61 +/- 0.25  57.253% *  1.9382% (0.26   1.0  1.00   1.43   0.02) =   2.601%  kept
          HA    THR   46 - HD2   PRO   58  10.45 +/- 1.25   0.120% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  15.50 +/- 1.17   0.010% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.44 +/- 1.78   0.008% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.99 +/- 1.22   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.95 +/- 0.98   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  27.23 +/- 1.83   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.45 +/- 1.39   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.51 +/- 1.05   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.70 +/- 1.39   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 147.1:
    * O T HB2   PRO   58 - HD2   PRO   58   3.99 +/- 0.24  99.543% * 99.3830% (0.95  10.0 10.00   6.93 147.14) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.70 +/- 1.28   0.204% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.09 +/- 0.63   0.240% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.66 +/- 1.31   0.011% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.18 +/- 1.37   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.02 +/- 1.16   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.05 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 7.04, residual support = 147.1:
    * O T HB3   PRO   58 - HD2   PRO   58   3.68 +/- 0.25  87.932% * 97.3078% (0.79  10.0 10.00   7.04 147.14) =  99.990%  kept
          HB    ILE   56 - HD2   PRO   58   5.65 +/- 0.20   7.242% *  0.0973% (0.79   1.0  1.00   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HD2   PRO   58   6.37 +/- 0.71   4.552% *  0.0180% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  13.70 +/- 2.01   0.231% *  0.1124% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  23.27 +/- 0.88   0.001% *  1.1650% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.37 +/- 1.07   0.019% *  0.0479% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.11 +/- 1.91   0.000% *  1.1020% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  17.65 +/- 2.10   0.011% *  0.0360% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.80 +/- 1.15   0.008% *  0.0204% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  22.18 +/- 1.35   0.002% *  0.0437% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  24.46 +/- 0.83   0.001% *  0.0290% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  34.05 +/- 1.75   0.000% *  0.0204% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.23 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.1:
    * O T HG2   PRO   58 - HD2   PRO   58   2.88 +/- 0.13  99.832% * 98.7160% (0.95  10.0 10.00   6.61 147.14) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.29 +/- 0.70   0.031% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.22 +/- 1.37   0.136% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  20.25 +/- 1.23   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  24.43 +/- 1.72   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.94 +/- 1.24   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  33.91 +/- 1.78   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.87 +/- 0.79   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 147.1:
    * O T HB2   PRO   58 - HA    PRO   58   2.65 +/- 0.17  99.981% * 99.2784% (1.00  10.0 10.00   6.27 147.14) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.35 +/- 1.41   0.013% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  17.62 +/- 1.39   0.001% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.20 +/- 0.64   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.43 +/- 1.33   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  28.51 +/- 1.23   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.21, residual support = 147.1:
    * O T HB3   PRO   58 - HA    PRO   58   2.39 +/- 0.17  99.838% * 98.4544% (0.84  10.0 10.00   6.21 147.14) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.88 +/- 0.57   0.110% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58   9.09 +/- 0.75   0.044% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  15.93 +/- 2.06   0.006% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.67 +/- 0.94   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.60 +/- 0.91   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.23 +/- 1.03   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  20.05 +/- 2.13   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.78 +/- 1.94   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  23.21 +/- 1.16   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  22.52 +/- 0.91   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.73 +/- 1.78   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  99.629% * 98.7160% (1.00  10.0 10.00   5.98 147.14) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.43 +/- 0.71   0.046% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  10.83 +/- 1.21   0.297% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.95 +/- 1.28   0.018% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  21.30 +/- 1.72   0.005% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  30.57 +/- 1.80   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  22.78 +/- 1.35   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  25.36 +/- 0.81   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.25 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 147.1:
    * O T HD2   PRO   58 - HA    PRO   58   3.80 +/- 0.04  99.590% * 98.5403% (0.95  10.0 10.00   6.70 147.14) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58   9.76 +/- 0.90   0.406% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.42 +/- 1.58   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.48 +/- 1.19   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  23.99 +/- 0.95   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 147.1:
    * O T HA    PRO   58 - HB2   PRO   58   2.65 +/- 0.17  98.530% * 99.4356% (1.00  10.0 10.00   6.27 147.14) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.50 +/- 0.31   1.444% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  14.57 +/- 2.07   0.012% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.26 +/- 1.21   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  14.36 +/- 1.24   0.005% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  19.54 +/- 1.30   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  20.82 +/- 1.14   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.59 +/- 1.89   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.40 +/- 1.63   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.20 +/- 1.19   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.92 +/- 1.53   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 = 4.5, residual support = 147.1:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.980% * 98.9371% (0.84  10.0 10.00   4.50 147.14) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.76 +/- 0.56   0.015% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   9.98 +/- 1.04   0.004% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.57 +/- 1.91   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.86 +/- 1.19   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.76 +/- 1.21   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.99 +/- 1.46   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  23.41 +/- 0.98   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  21.08 +/- 2.01   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  26.67 +/- 1.92   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  24.02 +/- 0.96   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  32.33 +/- 1.85   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 = 4.28, residual support = 147.1:
    * O T HG2   PRO   58 - HB2   PRO   58   2.44 +/- 0.26  99.985% * 98.7160% (1.00  10.0 10.00   4.28 147.14) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.85 +/- 0.65   0.002% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.45 +/- 1.12   0.011% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.65 +/- 1.39   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  23.17 +/- 1.72   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  32.14 +/- 1.91   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  24.58 +/- 1.20   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.83 +/- 0.89   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 0.02 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 147.1:
    * O T HD2   PRO   58 - HB2   PRO   58   3.99 +/- 0.24  99.740% * 98.5403% (0.95  10.0 10.00   6.93 147.14) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.05 +/- 0.77   0.256% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.29 +/- 1.76   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.51 +/- 1.35   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  25.50 +/- 0.98   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.14 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.21, residual support = 147.1:
    * O T HA    PRO   58 - HB3   PRO   58   2.39 +/- 0.17  99.379% * 99.1888% (0.84  10.0 10.00   6.21 147.14) =  99.998%  kept
        T HA    ILE   56 - HB3   PRO   58   5.85 +/- 0.30   0.610% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - HB3   PRO   58  13.18 +/- 1.29   0.004% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.42 +/- 2.09   0.004% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  14.42 +/- 1.26   0.003% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  19.77 +/- 1.27   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.53 +/- 0.98   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.71 +/- 1.94   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.18 +/- 1.48   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.73 +/- 1.00   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.55 +/- 1.36   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 147.1:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 99.1367% (0.84  10.0 10.00   4.50 147.14) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.53 +/- 1.67   0.002% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.80 +/- 1.49   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.54 +/- 0.57   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.89 +/- 1.49   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  30.64 +/- 1.13   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.1:
    * O T HG2   PRO   58 - HB3   PRO   58   2.83 +/- 0.26  99.967% * 97.0168% (0.84  10.0 10.00   4.22 147.14) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.74 +/- 0.67   0.006% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.78 +/- 1.09   0.025% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  23.26 +/- 1.75   0.000% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  18.21 +/- 1.27   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  32.25 +/- 1.92   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  24.77 +/- 1.25   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  27.21 +/- 0.80   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 0.44 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.04, residual support = 147.1:
    * O T HD2   PRO   58 - HB3   PRO   58   3.68 +/- 0.25  99.815% * 98.5403% (0.79  10.0 10.00   7.04 147.14) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  10.75 +/- 0.93   0.183% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.04 +/- 1.68   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.16 +/- 1.19   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  25.64 +/- 0.89   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.995, support = 5.94, residual support = 146.2:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  32.327% * 97.9061% (1.00  10.0 10.00   5.98 147.14) =  99.331%  kept
          HA    ILE   56 - HG2   PRO   58   3.53 +/- 0.25  65.754% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.666%  kept
          HA    THR   46 - HG3   PRO   52   8.45 +/- 2.03   1.694% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T HA    PRO   58 - HG3   PRO   52  14.43 +/- 0.71   0.015% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.08 +/- 0.72   0.133% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.43 +/- 1.12   0.040% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.37 +/- 1.85   0.021% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  15.89 +/- 1.15   0.009% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  21.10 +/- 1.22   0.002% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.33 +/- 1.08   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  22.45 +/- 2.44   0.001% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.50 +/- 1.80   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  27.29 +/- 1.77   0.000% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  27.45 +/- 2.39   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.95 +/- 1.26   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.74 +/- 1.55   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.16 +/- 1.10   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.88 +/- 2.65   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.42 +/- 1.44   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.31 +/- 1.47   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.56 +/- 2.01   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  30.93 +/- 1.89   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.616, support = 5.03, residual support = 180.3:
    * O T HB2   PRO   58 - HG2   PRO   58   2.44 +/- 0.26  13.772% * 87.8577% (1.00  10.0 10.00   4.28 147.14) =  56.115%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.221% * 10.9746% (0.12  10.0 10.00   5.99 222.80) =  43.885%  kept
          HB2   GLN  116 - HG2   PRO   58   9.47 +/- 1.54   0.006% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.85 +/- 0.65   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.76 +/- 0.59   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.32 +/- 1.46   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.78 +/- 1.35   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.94 +/- 1.55   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.41 +/- 1.56   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.47 +/- 2.18   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.62 +/- 1.53   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.47 +/- 0.98   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 = 4.22, residual support = 147.1:
    * O T HB3   PRO   58 - HG2   PRO   58   2.83 +/- 0.26  96.448% * 96.9979% (0.84  10.0 10.00   4.22 147.14) =  99.997%  kept
          HB    ILE   56 - HG2   PRO   58   5.84 +/- 0.48   1.470% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HG3   PRO   52   6.82 +/- 1.47   1.058% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   PRO   52   8.61 +/- 1.44   0.277% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52   9.14 +/- 2.52   0.426% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  14.74 +/- 0.67   0.006% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.96 +/- 0.99   0.156% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  16.67 +/- 2.46   0.005% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.90 +/- 0.60   0.129% *  0.0145% (0.12   1.0  1.00   0.02   1.76) =   0.000%
          HB2   MET   92 - HG2   PRO   58  14.96 +/- 1.61   0.006% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  14.97 +/- 1.10   0.006% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.50 +/- 1.28   0.007% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  24.08 +/- 1.22   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.51 +/- 1.33   0.003% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  19.62 +/- 1.90   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.87 +/- 0.95   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.76 +/- 2.18   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  27.40 +/- 1.76   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.02 +/- 1.42   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  34.12 +/- 1.72   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.71 +/- 0.85   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.94 +/- 2.01   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.80 +/- 1.91   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  40.65 +/- 2.84   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.41 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.1:
    * O T HD2   PRO   58 - HG2   PRO   58   2.88 +/- 0.13  98.632% * 98.7117% (0.95  10.0 10.00   6.61 147.14) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.32 +/- 0.77   1.263% *  0.0288% (0.28   1.0  1.00   0.02  53.82) =   0.000%
        T HD2   PRO   58 - HG3   PRO   52  11.29 +/- 0.70   0.030% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.85 +/- 0.68   0.069% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  17.47 +/- 2.52   0.005% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.66 +/- 1.08   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.68 +/- 1.65   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.60 +/- 1.43   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.17 +/- 1.20   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.00 +/- 1.88   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 58.2:
    * O T HB2   PHE   59 - HA    PHE   59   2.96 +/- 0.15  99.731% * 99.6348% (1.00  10.0 10.00   3.28  58.17) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   8.76 +/- 0.26   0.156% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  11.92 +/- 1.44   0.039% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.59 +/- 0.87   0.033% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.39 +/- 1.23   0.025% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  12.75 +/- 1.00   0.017% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 58.2:
    * O T HB3   PHE   59 - HA    PHE   59   2.68 +/- 0.24  99.999% * 99.9552% (1.00  10.0 10.00   3.96  58.17) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.15 +/- 1.00   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 58.2:
    * O T HA    PHE   59 - HB2   PHE   59   2.96 +/- 0.15  99.925% * 99.8386% (1.00  10.0 10.00   3.28  58.17) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.24 +/- 1.01   0.072% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.48 +/- 1.38   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  22.35 +/- 1.41   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.17 +/- 1.45   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.2:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.17) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  16.87 +/- 1.19   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 = 3.96, residual support = 58.2:
    * O T HA    PHE   59 - HB3   PHE   59   2.68 +/- 0.24  99.939% * 99.8386% (1.00  10.0 10.00   3.96  58.17) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.62 +/- 1.29   0.060% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.58 +/- 1.58   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  22.95 +/- 1.34   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  24.42 +/- 1.60   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.2:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.962% * 99.6348% (1.00  10.0 10.00   3.44  58.17) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.11 +/- 0.79   0.028% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.01 +/- 1.12   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.23 +/- 1.05   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.93 +/- 1.18   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.88 +/- 1.61   0.001% *  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 = 71.8:
    * O T HB2   PHE   60 - HA    PHE   60   3.00 +/- 0.08  99.999% * 99.9010% (1.00  10.0 10.00   4.00  71.84) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  20.57 +/- 1.18   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB3   PHE   60 - HA    PHE   60   2.54 +/- 0.20  99.961% * 99.7797% (1.00  10.0 10.00   4.00  71.84) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   60  13.04 +/- 1.45   0.018% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    PHE   60  11.69 +/- 1.54   0.017% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.40 +/- 0.76   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  21.94 +/- 1.49   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HA    PHE   60 - HB2   PHE   60   3.00 +/- 0.08  99.859% * 99.8400% (1.00  10.0 10.00   4.00  71.84) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.52 +/- 1.49   0.091% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.55 +/- 0.63   0.013% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.69 +/- 0.94   0.020% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.46 +/- 0.93   0.014% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.54 +/- 0.79   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  71.84) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.60 +/- 1.44   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  14.18 +/- 1.60   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.17 +/- 0.84   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.08 +/- 1.66   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HA    PHE   60 - HB3   PHE   60   2.54 +/- 0.20  99.915% * 99.8400% (1.00  10.0 10.00   4.00  71.84) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60   9.64 +/- 1.70   0.066% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.35 +/- 1.01   0.006% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.42 +/- 0.93   0.006% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.40 +/- 0.95   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  16.08 +/- 1.03   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.84) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  19.61 +/- 1.33   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  99.913% * 98.4786% (1.00  10.0 10.00   2.21  17.99) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   8.14 +/- 0.80   0.041% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  13.09 +/- 2.20   0.003% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.30 +/- 0.75   0.017% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61  10.01 +/- 1.28   0.013% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  12.31 +/- 1.29   0.003% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.39 +/- 0.91   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.77 +/- 0.98   0.004% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.13 +/- 1.36   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.34 +/- 2.17   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  20.48 +/- 1.92   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  19.27 +/- 1.58   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.83 +/- 1.83   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  99.594% * 98.9510% (1.00  10.0 10.00   2.21  17.99) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.85 +/- 0.45   0.268% *  0.0444% (0.45   1.0  1.00   0.02   1.04) =   0.000%
          HD3   PRO   58 - QB    ALA  110   7.67 +/- 2.53   0.123% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  13.09 +/- 2.20   0.003% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.85 +/- 0.72   0.006% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.35 +/- 0.87   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.83 +/- 1.85   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.75 +/- 1.45   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  16.49 +/- 0.94   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.13 +/- 1.40   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.70 +/- 0.22  99.999% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.92 +/- 0.78   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.94 +/- 0.16  99.997% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.25 +/- 1.10   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  26.63 +/- 1.81   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  27.34 +/- 1.21   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.76 +/- 1.27   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.70 +/- 0.22  99.978% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.08 +/- 1.59   0.022% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  23.45 +/- 0.76   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  29.08 +/- 1.18   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.31 +/- 1.54   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  26.88 +/- 1.56   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  27.36 +/- 1.70   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.46 +/- 1.41   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   2.94 +/- 0.16  99.970% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.05 +/- 1.26   0.029% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.00 +/- 0.91   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  28.26 +/- 1.28   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  15.71 +/- 0.67   0.000% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.2:
    * O T HB2   LEU   63 - HA    LEU   63   2.93 +/- 0.08  99.830% * 99.1997% (1.00  10.0 10.00   6.28 240.22) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63  10.32 +/- 1.29   0.069% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.75 +/- 0.87   0.047% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  12.55 +/- 1.25   0.021% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.83 +/- 1.46   0.007% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.97 +/- 1.49   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  16.92 +/- 1.90   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.36 +/- 1.60   0.011% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.03 +/- 1.08   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  20.41 +/- 0.94   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.35 +/- 1.42   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  23.79 +/- 2.64   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  22.72 +/- 1.02   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.2:
    * O T HB3   LEU   63 - HA    LEU   63   2.65 +/- 0.17  95.347% * 99.7424% (1.00  10.0 10.00   5.98 240.22) =  99.998%  kept
          QD1   LEU  123 - HA    LEU   63   5.98 +/- 2.22   3.165% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   6.80 +/- 1.13   0.559% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.03 +/- 2.39   0.781% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   9.34 +/- 1.18   0.079% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.31 +/- 2.36   0.069% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.2:
    * O T HG    LEU   63 - HA    LEU   63   2.72 +/- 0.53  99.791% * 99.8120% (1.00  10.0 10.00   5.98 240.22) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.50 +/- 1.25   0.198% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.70 +/- 1.74   0.009% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  18.30 +/- 1.09   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.67, support = 5.56, residual support = 240.2:
        T QD2   LEU   63 - HA    LEU   63   2.48 +/- 0.43  84.718% * 35.7505% (0.57 10.00   5.53 240.22) =  76.157%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.64 +/- 0.42  15.016% * 63.1462% (1.00 10.00   5.66 240.22) =  23.843%  kept
          QD2   LEU  115 - HA    LEU   63   7.40 +/- 1.24   0.238% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  10.62 +/- 1.05   0.019% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.34 +/- 0.73   0.007% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.85 +/- 2.84   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  18.76 +/- 1.87   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.96, support = 5.54, residual support = 240.2:
    *   T QD2   LEU   63 - HA    LEU   63   2.48 +/- 0.43  84.722% * 63.5438% (1.00 10.00   5.53 240.22) =  90.880%  kept
        T QD1   LEU   63 - HA    LEU   63   3.64 +/- 0.42  15.017% * 35.9756% (0.57 10.00   5.66 240.22) =   9.120%  kept
          QD2   LEU  115 - HA    LEU   63   7.40 +/- 1.24   0.238% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.34 +/- 0.73   0.007% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  11.58 +/- 0.70   0.010% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.08 +/- 1.31   0.005% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  20.46 +/- 3.06   0.000% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.85 +/- 2.84   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.2:
    * O T HA    LEU   63 - HB2   LEU   63   2.93 +/- 0.08  99.998% * 99.2046% (1.00  10.0 10.00   6.28 240.22) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.63 +/- 1.24   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.57 +/- 1.42   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.2:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.681% * 99.7424% (1.00  10.0 10.00   6.31 240.22) = 100.000%  kept
          QG1   VAL  108 - HB2   LEU   63  12.65 +/- 2.44   0.197% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   7.79 +/- 1.30   0.028% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.67 +/- 2.14   0.051% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.75 +/- 1.29   0.024% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.83 +/- 2.33   0.019% *  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 = 240.2:
    * O T HG    LEU   63 - HB2   LEU   63   2.57 +/- 0.17  99.736% * 99.8120% (1.00  10.0 10.00   6.31 240.22) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.56 +/- 1.10   0.251% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  13.56 +/- 1.96   0.011% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  16.49 +/- 1.10   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 6.21, residual support = 240.2:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.21  88.041% * 63.1462% (1.00  10.0 10.00   6.22 240.22) =  92.976%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.15 +/- 0.07  11.747% * 35.7505% (0.57  10.0 10.00   6.06 240.22) =   7.024%  kept
          QD2   LEU  115 - HB2   LEU   63   6.79 +/- 1.20   0.196% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.98 +/- 0.94   0.008% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.06 +/- 0.95   0.007% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.78 +/- 2.91   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  16.65 +/- 1.91   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.649, support = 6.19, residual support = 240.2:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.21  88.035% * 35.9756% (0.57  10.0 10.00   6.22 240.22) =  80.928%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.15 +/- 0.07  11.746% * 63.5438% (1.00  10.0 10.00   6.06 240.22) =  19.072%  kept
          QD2   LEU  115 - HB2   LEU   63   6.79 +/- 1.20   0.196% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.98 +/- 0.94   0.008% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  10.69 +/- 0.82   0.009% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  12.10 +/- 1.32   0.005% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  18.35 +/- 3.10   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.78 +/- 2.91   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.2:
    * O T HA    LEU   63 - HB3   LEU   63   2.65 +/- 0.17  99.998% * 99.8862% (1.00  10.0 10.00   5.98 240.22) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.56 +/- 1.34   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.27 +/- 1.50   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.2:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.977% * 99.1997% (1.00  10.0 10.00   6.31 240.22) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.23 +/- 1.47   0.017% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.86 +/- 1.33   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.30 +/- 1.34   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.87 +/- 1.46   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.00 +/- 1.30   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.28 +/- 2.01   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.91 +/- 1.57   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.85 +/- 1.32   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  18.68 +/- 1.22   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.28 +/- 1.45   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  21.56 +/- 3.02   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  21.12 +/- 1.11   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.2:
    * O T HG    LEU   63 - HB3   LEU   63   2.95 +/- 0.14  99.497% * 99.8120% (1.00  10.0 10.00   6.00 240.22) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.82 +/- 1.34   0.487% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.81 +/- 1.93   0.012% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  16.24 +/- 1.16   0.004% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.756, support = 5.83, residual support = 240.2:
      O T QD2   LEU   63 - HB3   LEU   63   2.23 +/- 0.16  69.328% * 35.7505% (0.57  10.0 10.00   5.76 240.22) =  56.225%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.64 +/- 0.27  30.559% * 63.1462% (1.00  10.0 10.00   5.92 240.22) =  43.775%  kept
          QD2   LEU  115 - HB3   LEU   63   7.58 +/- 1.28   0.095% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.42 +/- 1.04   0.008% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63   9.95 +/- 0.90   0.010% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  17.04 +/- 3.21   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  16.84 +/- 2.13   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.79, residual support = 240.2:
    * O T QD2   LEU   63 - HB3   LEU   63   2.23 +/- 0.16  69.324% * 63.5438% (1.00  10.0 10.00   5.76 240.22) =  80.029%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.64 +/- 0.27  30.557% * 35.9756% (0.57  10.0 10.00   5.92 240.22) =  19.971%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.42 +/- 1.04   0.008% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.58 +/- 1.28   0.095% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.81 +/- 0.86   0.011% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.32 +/- 1.36   0.005% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  18.62 +/- 3.39   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  17.04 +/- 3.21   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.2:
    * O T HA    LEU   63 - HG    LEU   63   2.72 +/- 0.53  99.998% * 99.8862% (1.00  10.0 10.00   5.98 240.22) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  22.43 +/- 1.54   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.47 +/- 1.35   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.2:
    * O T HB2   LEU   63 - HG    LEU   63   2.57 +/- 0.17  99.830% * 99.1997% (1.00  10.0 10.00   6.31 240.22) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   9.07 +/- 1.82   0.092% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  10.99 +/- 1.43   0.028% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  10.60 +/- 1.42   0.028% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.88 +/- 1.51   0.005% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  14.69 +/- 1.64   0.004% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.09 +/- 1.53   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.62 +/- 1.01   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.66 +/- 1.27   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  19.14 +/- 1.27   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  22.64 +/- 3.01   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  19.98 +/- 1.94   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  21.11 +/- 1.15   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.2:
    * O T HB3   LEU   63 - HG    LEU   63   2.95 +/- 0.14  90.930% * 99.7424% (1.00  10.0 10.00   6.00 240.22) =  99.996%  kept
          QD1   LEU  123 - HG    LEU   63   6.34 +/- 2.31   5.689% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU   63  11.54 +/- 2.91   2.401% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU   63   7.75 +/- 1.22   0.480% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  12.43 +/- 2.05   0.333% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU   63   9.44 +/- 1.57   0.168% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.843, support = 5.59, residual support = 240.2:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.732% * 63.0834% (1.00  10.0 10.00   5.64 240.22) =  63.716%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  50.024% * 35.7149% (0.57  10.0 10.00   5.50 240.22) =  36.284%  kept
          QD2   LEU  115 - HG    LEU   63   5.87 +/- 1.18   0.237% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.30 +/- 1.22   0.005% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.00 +/- 1.18   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  17.69 +/- 2.15   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  18.09 +/- 3.12   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 = 0.844, support = 5.55, residual support = 240.2:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  50.024% * 63.5438% (1.00  10.0 10.00   5.50 240.22) =  63.985%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.733% * 35.9756% (0.57  10.0 10.00   5.64 240.22) =  36.015%  kept
          QD2   LEU  115 - HG    LEU   63   5.87 +/- 1.18   0.237% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.00 +/- 1.18   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.29 +/- 1.12   0.003% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.34 +/- 1.26   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  19.65 +/- 3.28   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  18.09 +/- 3.12   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 = 5.66, residual support = 240.2:
    *   T HA    LEU   63 - QD1   LEU   63   3.64 +/- 0.42  97.391% * 98.5216% (1.00 10.00   5.66 240.22) =  99.998%  kept
        T HA    LEU   63 - QD1   LEU   73  12.34 +/- 0.73   0.078% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  10.62 +/- 1.05   0.230% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   9.03 +/- 0.83   0.591% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU  104   8.05 +/- 0.86   1.451% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  10.78 +/- 1.30   0.221% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.39 +/- 1.55   0.025% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.66 +/- 1.47   0.010% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.01 +/- 1.14   0.003% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 240.2:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.21  94.592% * 95.2053% (1.00  10.0 10.00   6.22 240.22) =  99.998%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.29 +/- 1.69   0.699% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   3.97 +/- 0.44   3.463% *  0.0132% (0.14   1.0  1.00   0.02  17.08) =   0.001%
          HB2   LEU   31 - QD1   LEU   73   5.68 +/- 0.70   0.496% *  0.0854% (0.90   1.0  1.00   0.02   3.25) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73  11.66 +/- 2.79   0.011% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.13 +/- 1.06   0.124% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  10.98 +/- 0.94   0.009% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.79 +/- 1.09   0.080% *  0.0933% (0.98   1.0  1.00   0.02   7.36) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.70 +/- 1.22   0.095% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.86 +/- 0.66   0.175% *  0.0187% (0.20   1.0  1.00   0.02   6.58) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.06 +/- 0.95   0.008% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.87 +/- 1.24   0.019% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.40 +/- 1.59   0.015% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   9.01 +/- 2.11   0.045% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  17.40 +/- 2.75   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.44 +/- 1.76   0.007% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.11 +/- 0.74   0.007% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.43 +/- 1.19   0.021% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  12.04 +/- 1.23   0.005% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.28 +/- 1.51   0.005% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.79 +/- 0.69   0.076% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.95 +/- 1.34   0.006% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104   9.91 +/- 1.35   0.019% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.03 +/- 1.31   0.003% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.31 +/- 1.48   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.71 +/- 1.16   0.001% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.92 +/- 0.97   0.005% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.66 +/- 1.06   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.21 +/- 0.98   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.73 +/- 1.17   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  21.63 +/- 3.42   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.37 +/- 1.54   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.39 +/- 1.45   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  15.02 +/- 1.30   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.62 +/- 0.90   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.40 +/- 1.79   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  16.32 +/- 1.07   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  19.07 +/- 1.45   0.000% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  20.01 +/- 1.09   0.000% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.92, residual support = 240.2:
    * O T HB3   LEU   63 - QD1   LEU   63   2.64 +/- 0.27  78.872% * 98.2083% (1.00  10.0 10.00   5.92 240.22) =  99.989%  kept
          QD1   LEU   71 - QD1   LEU   73   5.16 +/- 1.42   6.923% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  108 - QD1   LEU   63   9.33 +/- 1.99   3.184% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   63   9.37 +/- 2.51   4.259% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   6.28 +/- 1.75   2.515% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   5.81 +/- 0.54   0.911% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   7.32 +/- 1.40   0.588% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.70 +/- 0.96   0.603% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.42 +/- 1.04   0.023% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.08 +/- 1.27   1.332% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.95 +/- 0.90   0.032% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.57 +/- 0.48   0.078% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.21 +/- 2.00   0.477% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.39 +/- 2.00   0.167% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  12.30 +/- 1.24   0.011% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.68 +/- 1.65   0.007% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.34 +/- 1.29   0.011% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.35 +/- 0.51   0.008% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 240.2:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  97.612% * 98.0591% (1.00  10.0 10.00   5.64 240.22) =  99.997%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.82 +/- 1.29   1.822% *  0.1513% (0.15   1.0 10.00   0.02   0.14) =   0.003%
          QG2   VAL   24 - QD1   LEU   73   5.78 +/- 0.98   0.488% *  0.0946% (0.97   1.0  1.00   0.02   1.04) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.00 +/- 1.18   0.004% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.44 +/- 1.89   0.032% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.30 +/- 1.22   0.009% *  0.2400% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.55 +/- 0.68   0.025% *  0.0370% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.36 +/- 0.86   0.005% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  13.40 +/- 1.24   0.002% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  14.17 +/- 1.29   0.001% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.49 +/- 1.56   0.000% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.82 +/- 1.22   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 = 5.53, residual support = 240.2:
    *   T HA    LEU   63 - QD2   LEU   63   2.48 +/- 0.43  99.995% * 99.8862% (1.00 10.00   5.53 240.22) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.60 +/- 1.19   0.004% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.54 +/- 1.28   0.001% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.08 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 240.2:
    * O T HB2   LEU   63 - QD2   LEU   63   3.15 +/- 0.07  98.492% * 98.3391% (1.00  10.0 10.00   6.06 240.22) =  99.999%  kept
          HB3   ASP-  44 - QD2   LEU   63   8.07 +/- 1.37   0.585% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   8.53 +/- 1.26   0.336% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  10.21 +/- 1.32   0.117% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63   9.93 +/- 1.17   0.134% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  10.79 +/- 1.32   0.083% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.65 +/- 1.30   0.192% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  19.05 +/- 2.53   0.003% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.92 +/- 1.74   0.028% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.20 +/- 1.07   0.009% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  14.96 +/- 1.64   0.011% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  16.37 +/- 0.98   0.006% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  17.99 +/- 0.90   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 240.2:
    * O T HB3   LEU   63 - QD2   LEU   63   2.23 +/- 0.16  80.722% * 99.7424% (1.00  10.0 10.00   5.76 240.22) =  99.991%  kept
          QD1   LEU  123 - QD2   LEU   63   4.83 +/- 2.12   8.660% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QD2   LEU   63   8.67 +/- 2.55   8.264% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QD2   LEU   63   5.11 +/- 1.00   2.160% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - QD2   LEU   63  10.61 +/- 1.81   0.108% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU   63   7.97 +/- 1.35   0.084% *  0.0685% (0.69   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 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 240.2:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.385% * 99.6738% (1.00  10.0 10.00   5.50 240.22) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.59 +/- 1.28   0.606% *  0.1538% (0.15   1.0 10.00   0.02   0.14) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  11.98 +/- 1.63   0.008% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  14.14 +/- 1.21   0.001% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.9:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.02  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.86) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.38 +/- 0.77   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.986, support = 2.01, residual support = 21.3:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  94.350% * 72.6945% (1.00  10.0 10.00   2.00  20.86) =  97.802%  kept
        T HB2   PHE   72 - QB    ALA   64   3.77 +/- 0.64   5.649% * 27.2831% (0.38   1.0 10.00   2.58  39.44) =   2.198%  kept
          HB3   ASN   35 - QB    ALA   64  17.18 +/- 0.98   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 164.0:
    * O T QB    LYS+  65 - HA    LYS+  65   2.42 +/- 0.07  98.594% * 99.3780% (0.92  10.0 10.00   6.30 164.04) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.19 +/- 0.27   1.165% *  0.0563% (0.52   1.0  1.00   0.02  25.52) =   0.001%
          HB3   GLN   17 - HA    LYS+  65   7.90 +/- 1.51   0.178% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  12.47 +/- 1.16   0.007% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.33 +/- 1.85   0.005% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.44 +/- 2.17   0.034% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.22 +/- 1.89   0.001% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  12.86 +/- 2.45   0.007% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  16.25 +/- 0.96   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.57 +/- 1.20   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.97 +/- 1.81   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.60 +/- 2.40   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.17 +/- 1.60   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.28 +/- 2.33   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.13 +/- 1.27   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.94 +/- 1.19   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.865, support = 5.45, residual support = 172.8:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.70 +/- 0.53  39.900% * 53.0514% (0.92  10.0 10.00   5.27 164.04) =  92.645%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.59 +/- 0.70  13.448% *  5.9339% (0.10   1.0 10.00   7.65 316.40) =   3.493%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.57 +/- 0.24  46.069% *  1.4928% (0.03  10.0 10.00   8.23 316.40) =   3.010%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.84 +/- 0.78   0.505% * 38.5232% (0.67   1.0 10.00   5.45  25.52) =   0.852%  kept
        T HD2   LYS+ 121 - HA    LYS+  65  15.75 +/- 2.90   0.004% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.22 +/- 2.93   0.016% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.41 +/- 1.12   0.005% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.53 +/- 0.71   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.21 +/- 2.09   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121   9.91 +/- 2.70   0.035% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.41 +/- 2.01   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.02 +/- 1.15   0.003% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  16.18 +/- 1.00   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.06 +/- 2.25   0.006% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.00 +/- 1.15   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.39 +/- 1.48   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.36 +/- 1.30   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.97 +/- 1.15   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.48 +/- 1.00   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.35 +/- 1.00   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.918, support = 5.28, residual support = 164.9:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.98 +/- 0.62  79.197% * 94.0974% (0.92  10.0 10.00   5.27 164.04) =  99.424%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.17 +/- 0.70  20.534% *  2.1015% (0.02   1.0 10.00   6.63 316.40) =   0.576%  kept
        T HG3   LYS+ 106 - HA    LYS+ 121  11.45 +/- 2.54   0.070% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.20 +/- 0.97   0.050% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.59 +/- 3.35   0.009% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  15.75 +/- 3.45   0.016% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  19.44 +/- 2.32   0.002% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.07 +/- 1.62   0.001% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.50 +/- 0.61   0.009% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.23 +/- 1.44   0.007% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.53 +/- 1.47   0.022% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.39 +/- 1.64   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.51 +/- 2.04   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.10 +/- 1.76   0.021% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.36 +/- 1.14   0.004% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  16.43 +/- 1.47   0.005% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.82 +/- 1.62   0.001% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.31 +/- 2.31   0.021% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.64 +/- 2.51   0.001% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.87 +/- 1.03   0.006% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.85 +/- 1.30   0.002% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  14.86 +/- 2.39   0.011% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  22.08 +/- 0.72   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.55 +/- 1.47   0.002% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.43 +/- 1.51   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.15 +/- 1.25   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.33 +/- 0.83   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  24.70 +/- 1.62   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.797, support = 5.28, residual support = 187.3:
    *   T QD    LYS+  65 - HA    LYS+  65   3.26 +/- 0.47  37.631% * 85.3184% (0.92   1.0 10.00   4.75 164.04) =  84.584%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.93 +/- 0.15  60.583% *  9.6069% (0.10  10.0 10.00   8.21 316.40) =  15.333%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.45 +/- 0.62   1.704% *  1.8290% (0.04   1.0 10.00   1.11   2.52) =   0.082%
        T HB2   LYS+ 121 - HA    LYS+  65  15.47 +/- 2.06   0.006% *  0.8513% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.47 +/- 1.32   0.008% *  0.2910% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  18.45 +/- 2.08   0.002% *  0.7876% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.06 +/- 0.94   0.014% *  0.0483% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  14.38 +/- 3.26   0.010% *  0.0545% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.14 +/- 0.87   0.023% *  0.0237% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.51 +/- 2.21   0.005% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  16.54 +/- 2.66   0.003% *  0.0889% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.55 +/- 1.51   0.000% *  0.4830% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.08 +/- 1.56   0.000% *  0.2127% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.54 +/- 1.65   0.002% *  0.0240% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.38 +/- 1.83   0.002% *  0.0320% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.14 +/- 1.54   0.000% *  0.1316% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.41 +/- 1.54   0.002% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.22 +/- 0.86   0.000% *  0.0846% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.86 +/- 0.99   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.55 +/- 2.13   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.47 +/- 1.29   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  27.37 +/- 2.83   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.0:
    *   T QE    LYS+  65 - HA    LYS+  65   4.35 +/- 0.21  99.891% * 97.2340% (0.92 10.00   4.75 164.04) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  17.97 +/- 2.88   0.035% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.12 +/- 1.89   0.041% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.79 +/- 1.01   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.90 +/- 1.14   0.005% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.91 +/- 2.54   0.006% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.20 +/- 1.54   0.005% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  27.93 +/- 1.05   0.002% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  22.51 +/- 2.98   0.007% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  26.62 +/- 2.01   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  28.54 +/- 3.25   0.002% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.72 +/- 0.91   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 164.0:
    * O T HA    LYS+  65 - QB    LYS+  65   2.42 +/- 0.07  99.596% * 98.7802% (0.92  10.0 10.00   6.30 164.04) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   7.20 +/- 1.68   0.381% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.33 +/- 1.85   0.005% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.78 +/- 1.52   0.011% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.22 +/- 1.35   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  16.46 +/- 1.24   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.56 +/- 1.19   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.28 +/- 1.05   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  17.99 +/- 1.02   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  24.88 +/- 0.60   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  22.41 +/- 0.82   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  26.14 +/- 0.92   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.56, residual support = 157.2:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.43 +/- 0.14  93.213% * 57.5064% (1.00  10.0 10.00   5.58 164.04) =  95.031%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.75 +/- 1.08   6.712% * 41.7582% (0.73   1.0 10.00   5.33  25.52) =   4.969%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.60 +/- 2.65   0.043% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  12.02 +/- 0.70   0.007% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.37 +/- 1.04   0.012% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.73 +/- 0.86   0.001% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.09 +/- 2.04   0.005% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.82 +/- 0.97   0.005% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.67 +/- 1.03   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.99 +/- 1.27   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 164.0:
    * O T QD    LYS+  65 - QB    LYS+  65   2.13 +/- 0.09  99.953% * 97.4795% (1.00  10.0 10.00   5.05 164.04) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.79 +/- 0.68   0.027% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.32 +/- 2.03   0.006% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.40 +/- 1.56   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  17.81 +/- 1.67   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.28 +/- 0.86   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.24 +/- 1.31   0.006% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.75 +/- 1.41   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.33 +/- 1.43   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.43 +/- 1.36   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.98 +/- 0.81   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 164.0:
    *   T QE    LYS+  65 - QB    LYS+  65   3.19 +/- 0.57  99.986% * 98.8300% (1.00 10.00   5.05 164.04) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  17.79 +/- 2.44   0.009% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.61 +/- 0.77   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  22.08 +/- 0.88   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  20.76 +/- 1.40   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  25.18 +/- 0.96   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 164.0:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.70 +/- 0.53  99.065% * 97.8884% (0.92  10.0 10.00   5.27 164.04) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.55 +/- 2.06   0.897% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  14.81 +/- 1.84   0.018% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.41 +/- 2.01   0.007% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  17.87 +/- 1.46   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.96 +/- 1.48   0.005% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  19.57 +/- 1.70   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.81 +/- 1.62   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.49 +/- 1.55   0.002% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.70 +/- 0.99   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  24.35 +/- 1.38   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  28.19 +/- 1.45   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 164.0:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.43 +/- 0.14  99.204% * 99.0387% (1.00  10.0 10.00   5.58 164.04) =  99.997%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.14 +/- 0.62   0.573% *  0.5607% (0.57   1.0 10.00   0.02  25.52) =   0.003%
          HB3   GLN   17 - HG2   LYS+  65   8.40 +/- 2.04   0.215% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  13.69 +/- 1.46   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  16.81 +/- 2.28   0.002% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.15 +/- 1.05   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.59 +/- 1.18   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.73 +/- 1.17   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.0:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.33 +/- 0.09  99.943% * 96.4735% (1.00  10.0 10.00   4.44 164.04) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.11 +/- 1.21   0.011% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.06 +/- 2.13   0.002% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.37 +/- 1.09   0.037% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  20.05 +/- 2.32   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.21 +/- 1.87   0.004% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.95 +/- 2.24   0.002% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.49 +/- 1.48   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.19 +/- 1.75   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.28 +/- 1.73   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.28 +/- 1.08   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.0:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.61 +/- 0.26  99.998% * 98.8300% (1.00  10.0 10.00   4.44 164.04) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  19.01 +/- 2.87   0.001% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.09 +/- 1.42   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  21.67 +/- 1.93   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  24.21 +/- 1.31   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  27.07 +/- 1.01   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.0:
    *   T HA    LYS+  65 - QD    LYS+  65   3.26 +/- 0.47  94.903% * 96.9449% (0.92 10.00   4.75 164.04) =  99.996%  kept
          HA2   GLY   16 - QD    LYS+  65   7.24 +/- 1.94   2.966% *  0.1014% (0.97  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  65  16.51 +/- 2.21   0.019% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  16.25 +/- 3.78   0.355% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  14.38 +/- 3.26   0.033% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.37 +/- 1.13   0.606% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.88 +/- 1.92   0.036% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.32 +/- 1.09   0.554% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.54 +/- 1.65   0.009% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  18.45 +/- 2.08   0.005% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  16.54 +/- 2.66   0.009% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  12.97 +/- 1.54   0.050% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.41 +/- 1.54   0.009% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  12.89 +/- 1.32   0.046% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.71 +/- 2.11   0.054% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.72 +/- 0.61   0.106% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  17.77 +/- 1.24   0.005% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  13.98 +/- 2.34   0.062% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.07 +/- 1.52   0.012% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  18.60 +/- 1.59   0.004% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.55 +/- 1.51   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.08 +/- 1.56   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.49 +/- 1.42   0.005% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.28 +/- 1.37   0.009% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  15.82 +/- 2.02   0.014% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.54 +/- 1.34   0.005% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.14 +/- 1.54   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.29 +/- 1.69   0.031% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.00 +/- 2.71   0.006% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.33 +/- 1.12   0.009% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.15 +/- 2.51   0.017% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  17.10 +/- 1.30   0.006% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.53 +/- 1.72   0.005% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.24 +/- 1.78   0.013% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  18.82 +/- 2.58   0.004% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.63 +/- 1.92   0.005% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  25.29 +/- 1.06   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  22.83 +/- 2.76   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  23.35 +/- 2.75   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.37 +/- 1.60   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  22.79 +/- 2.58   0.002% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.01 +/- 1.39   0.002% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.97 +/- 3.10   0.005% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  23.40 +/- 1.30   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.92 +/- 2.05   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.07 +/- 1.46   0.003% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  20.99 +/- 2.85   0.004% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  27.27 +/- 1.93   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  27.11 +/- 2.67   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.04 +/- 1.97   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  26.83 +/- 2.10   0.001% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.77 +/- 1.36   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.23 +/- 2.04   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.41 +/- 1.42   0.000% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  25.13 +/- 2.32   0.001% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.36 +/- 1.31   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  29.36 +/- 1.84   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  31.69 +/- 2.04   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  30.11 +/- 2.01   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.68 +/- 2.14   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.886, support = 5.01, residual support = 163.4:
    * O T QB    LYS+  65 - QD    LYS+  65   2.13 +/- 0.09  56.298% * 77.3143% (1.00  10.0 10.00   5.05 164.04) =  84.782%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.29 +/- 0.33  40.783% * 19.1545% (0.25  10.0 10.00   4.75 159.81) =  15.216%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.45 +/- 3.00   0.737% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111   9.26 +/- 2.91   1.722% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD    LYS+  65   6.07 +/- 0.54   0.136% *  0.0438% (0.57   1.0  1.00   0.02  25.52) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   8.29 +/- 2.01   0.084% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.61 +/- 2.29   0.026% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.34 +/- 0.86   0.151% *  0.0049% (0.06   1.0  1.00   0.02  22.16) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.42 +/- 1.57   0.030% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38   9.92 +/- 1.15   0.008% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.37 +/- 1.83   0.001% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.91 +/- 1.45   0.005% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  17.86 +/- 4.14   0.013% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.86 +/- 1.34   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.13 +/- 1.01   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.73 +/- 1.13   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  17.81 +/- 1.67   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.33 +/- 1.43   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.18 +/- 3.02   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.75 +/- 1.41   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.68 +/- 1.19   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.43 +/- 1.36   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.51 +/- 1.05   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.75 +/- 1.24   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.73 +/- 1.23   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.02 +/- 1.43   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  17.84 +/- 2.43   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.08 +/- 1.85   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.62 +/- 2.63   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.52 +/- 1.82   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.88 +/- 2.09   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.23 +/- 1.04   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  24.68 +/- 2.87   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.22 +/- 2.40   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.79 +/- 2.83   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.48 +/- 2.98   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.47 +/- 1.13   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.80 +/- 1.60   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.57 +/- 1.76   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.55 +/- 1.87   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.0:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.33 +/- 0.09  85.343% * 94.3122% (1.00  10.0 10.00   4.44 164.04) =  99.990%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.45 +/- 1.19   0.470% *  0.6848% (0.73   1.0 10.00   0.02  25.52) =   0.004%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.72 +/- 0.28   5.547% *  0.0409% (0.04  10.0  1.00   0.02 314.94) =   0.003%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.64 +/- 0.36   8.322% *  0.0253% (0.03  10.0  1.00   0.02 314.94) =   0.003%
        T HD2   LYS+ 121 - QD    LYS+  65  15.80 +/- 2.93   0.014% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  65  12.20 +/- 1.33   0.005% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.59 +/- 1.44   0.008% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.12 +/- 0.97   0.171% *  0.0059% (0.06   1.0  1.00   0.02   0.11) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  13.76 +/- 2.74   0.004% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.81 +/- 2.67   0.003% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.29 +/- 2.21   0.002% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  13.29 +/- 2.95   0.007% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.51 +/- 0.99   0.051% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  16.42 +/- 2.64   0.001% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  19.23 +/- 2.93   0.001% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  15.91 +/- 1.77   0.001% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.79 +/- 2.29   0.009% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.84 +/- 1.50   0.001% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38   9.97 +/- 1.47   0.019% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  18.86 +/- 2.53   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.21 +/- 3.09   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.40 +/- 1.62   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.05 +/- 2.32   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  16.00 +/- 2.47   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.73 +/- 1.56   0.007% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.66 +/- 2.72   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.54 +/- 0.99   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.19 +/- 1.75   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.20 +/- 1.69   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.49 +/- 1.48   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.28 +/- 1.73   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.15 +/- 1.36   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  21.04 +/- 2.77   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  20.03 +/- 1.73   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.65 +/- 1.04   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.67 +/- 1.38   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.86 +/- 1.18   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.24 +/- 1.48   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.30 +/- 2.74   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.93 +/- 1.05   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  19.77 +/- 2.40   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.17 +/- 1.81   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.59 +/- 1.52   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  19.39 +/- 2.70   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  19.70 +/- 2.30   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.44 +/- 1.56   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.06 +/- 1.82   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  22.55 +/- 1.77   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.30 +/- 1.94   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  24.60 +/- 2.24   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.0:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.950% * 97.0780% (1.00  10.0 10.00   4.00 164.04) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  11.09 +/- 1.28   0.006% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   8.18 +/- 0.74   0.035% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  18.23 +/- 2.66   0.000% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.14 +/- 1.49   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.65 +/- 1.31   0.005% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  19.69 +/- 1.97   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.45 +/- 1.61   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.58 +/- 1.73   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.65 +/- 1.19   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.80 +/- 2.02   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.84 +/- 1.37   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.30 +/- 1.46   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  20.74 +/- 1.88   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.41 +/- 2.52   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  23.25 +/- 1.21   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  21.44 +/- 3.15   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  25.90 +/- 1.12   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.44 +/- 3.72   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.15 +/- 2.62   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.31 +/- 3.70   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.45 +/- 2.42   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  26.24 +/- 2.70   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.54 +/- 2.26   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.02 +/- 1.92   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  28.73 +/- 2.05   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  27.16 +/- 1.52   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.64 +/- 2.33   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.48 +/- 2.60   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  30.27 +/- 2.60   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.91, support = 4.72, residual support = 161.6:
    *   T HA    LYS+  65 - QE    LYS+  65   4.35 +/- 0.21  80.745% * 88.0388% (0.92 10.00   4.75 164.04) =  98.365%  kept
        T HA    GLN   32 - QE    LYS+  33   6.76 +/- 1.14  12.110% *  9.7024% (0.10 10.00   3.28  11.70) =   1.626%  kept
          HA2   GLY   16 - QE    LYS+  65   8.08 +/- 2.02   6.637% *  0.0920% (0.97  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QE    LYS+  65  17.12 +/- 1.89   0.033% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  17.97 +/- 2.88   0.029% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.53 +/- 1.89   0.091% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  14.53 +/- 2.69   0.170% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  17.44 +/- 1.61   0.022% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  17.03 +/- 1.24   0.026% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.91 +/- 2.54   0.005% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.24 +/- 1.63   0.027% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.15 +/- 1.46   0.039% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.37 +/- 1.56   0.026% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.48 +/- 1.45   0.004% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.90 +/- 1.65   0.011% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  22.26 +/- 2.07   0.005% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.28 +/- 1.05   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.47 +/- 1.28   0.005% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  24.07 +/- 2.53   0.003% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.44 +/- 2.09   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.65 +/- 1.34   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.16 +/- 1.90   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  29.27 +/- 1.92   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  26.13 +/- 1.61   0.002% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 163.8:
    *   T QB    LYS+  65 - QE    LYS+  65   3.19 +/- 0.57  94.057% * 87.9712% (1.00 10.00   5.05 164.04) =  99.858%  kept
          QB    LYS+  66 - QE    LYS+  65   6.91 +/- 0.78   1.047% * 11.0123% (0.57  1.00   4.42  25.52) =   0.139%
          HB2   LEU   71 - QE    LYS+  33   8.66 +/- 3.50   2.692% *  0.0451% (0.51  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  65   8.29 +/- 2.36   1.762% *  0.0534% (0.61  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  33  10.01 +/- 1.55   0.278% *  0.0170% (0.19  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  17.79 +/- 2.44   0.007% *  0.4522% (0.51 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.42 +/- 2.53   0.082% *  0.0274% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.11 +/- 1.40   0.020% *  0.0878% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  15.43 +/- 1.69   0.016% *  0.0735% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.05 +/- 1.19   0.014% *  0.0443% (0.50  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.20 +/- 0.91   0.006% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  17.76 +/- 2.41   0.007% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.03 +/- 0.93   0.002% *  0.0862% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.16 +/- 1.07   0.009% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.49 +/- 2.47   0.001% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.22 +/- 0.91   0.001% *  0.0219% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.0:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.61 +/- 0.26  98.876% * 98.8048% (1.00  10.0 10.00   4.44 164.04) =  99.999%  kept
          QD    LYS+  66 - QE    LYS+  65   7.53 +/- 1.58   0.577% *  0.0717% (0.73   1.0  1.00   0.02  25.52) =   0.000%
          QG2   THR   26 - QE    LYS+  33   6.92 +/- 1.08   0.436% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  11.37 +/- 1.49   0.024% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  10.57 +/- 1.35   0.045% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  19.01 +/- 2.87   0.001% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.19 +/- 2.53   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.43 +/- 1.63   0.004% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  14.00 +/- 1.79   0.006% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  12.59 +/- 1.83   0.012% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.09 +/- 0.96   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.76 +/- 1.93   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  18.27 +/- 2.64   0.001% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.33 +/- 1.61   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.87 +/- 3.12   0.000% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.01 +/- 1.02   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.21 +/- 1.38   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.78 +/- 1.74   0.002% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.74 +/- 2.59   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  26.97 +/- 2.53   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.0:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.919% * 96.2302% (1.00  10.0 10.00   4.00 164.04) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  11.09 +/- 1.28   0.006% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   7.99 +/- 1.15   0.061% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  10.74 +/- 1.09   0.008% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  19.69 +/- 1.97   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  18.23 +/- 2.66   0.000% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.14 +/- 1.49   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.94 +/- 1.90   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.08 +/- 1.90   0.002% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.65 +/- 1.19   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.49 +/- 1.77   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.45 +/- 1.61   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.53 +/- 1.79   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.58 +/- 1.73   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  19.32 +/- 1.97   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.46 +/- 1.20   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.75 +/- 2.41   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  20.27 +/- 1.65   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.41 +/- 2.52   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.15 +/- 2.62   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.41 +/- 2.50   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.42 +/- 2.82   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.98, residual support = 113.4:
    * O T QB    LYS+  66 - HA    LYS+  66   2.43 +/- 0.12  95.751% * 86.1354% (1.00  10.0 10.00   4.98 113.99) =  99.368%  kept
          QB    LYS+  65 - HA    LYS+  66   4.17 +/- 0.22   4.038% * 12.9930% (0.57   1.0  1.00   5.33  25.52) =   0.632%  kept
          HG    LEU  123 - HA    LYS+  66   8.76 +/- 2.50   0.203% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.31 +/- 1.49   0.005% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  21.83 +/- 1.18   0.000% *  0.4877% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.64 +/- 0.73   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.02 +/- 1.73   0.001% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.26 +/- 1.42   0.000% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.51 +/- 1.41   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 113.5:
    * O T QG    LYS+  66 - HA    LYS+  66   2.56 +/- 0.40  97.422% * 72.3676% (1.00  10.0 10.00   4.31 113.99) =  99.481%  kept
        T HG    LEU   67 - HA    LYS+  66   5.92 +/- 0.92   1.350% * 27.1604% (0.38   1.0 10.00   4.17  11.49) =   0.517%  kept
          HB3   LEU   67 - HA    LYS+  66   6.00 +/- 0.57   1.063% *  0.0685% (0.95   1.0  1.00   0.02  11.49) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.06 +/- 0.33   0.140% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.76 +/- 1.35   0.011% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.60 +/- 1.78   0.006% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.82 +/- 0.86   0.002% *  0.0685% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  15.00 +/- 1.45   0.004% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.17 +/- 1.53   0.002% *  0.0439% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.62 +/- 2.33   0.000% *  0.0628% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  27.29 +/- 2.57   0.000% *  0.0468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  26.37 +/- 2.03   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.31, residual support = 113.5:
    *   T QD    LYS+  66 - HA    LYS+  66   2.45 +/- 0.57  96.887% * 85.2023% (1.00 10.00   4.31 113.99) =  99.490%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.40 +/- 0.66   3.059% * 13.8183% (0.73  1.00   4.47  25.52) =   0.509%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  13.24 +/- 3.18   0.032% *  0.6822% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.58 +/- 2.47   0.011% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  16.41 +/- 1.49   0.003% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.44 +/- 1.07   0.003% *  0.0448% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.64 +/- 0.74   0.003% *  0.0320% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  19.63 +/- 2.19   0.001% *  0.0482% (0.57  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.46 +/- 0.90   0.001% *  0.0551% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 114.0:
    *   T QE    LYS+  66 - HA    LYS+  66   3.92 +/- 0.39  99.651% * 99.6609% (1.00 10.00   3.94 113.99) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.70 +/- 0.76   0.343% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  22.82 +/- 1.09   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.53 +/- 0.99   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 114.0:
    * O T HA    LYS+  66 - QB    LYS+  66   2.43 +/- 0.12  99.821% * 99.9488% (1.00  10.0 10.00   4.98 113.99) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.12 +/- 1.48   0.178% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  21.03 +/- 0.86   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  25.81 +/- 1.18   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.3, residual support = 113.0:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.02  97.162% * 71.9610% (1.00  10.0 10.00   4.31 113.99) =  99.066%  kept
        T HG    LEU   67 - QB    LYS+  66   5.36 +/- 1.59   2.440% * 27.0078% (0.38   1.0 10.00   4.12  11.49) =   0.934%  kept
          HB3   LEU   67 - QB    LYS+  66   5.57 +/- 0.49   0.297% *  0.0681% (0.95   1.0  1.00   0.02  11.49) =   0.000%
          QB    ALA   61 - QB    LYS+  66   6.72 +/- 0.41   0.084% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.72 +/- 1.66   0.007% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.03 +/- 1.89   0.006% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.26 +/- 2.36   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.74 +/- 0.94   0.001% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.76 +/- 1.53   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  14.00 +/- 1.04   0.001% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  23.75 +/- 2.42   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  22.82 +/- 2.00   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 = 114.0:
    * O T QD    LYS+  66 - QB    LYS+  66   2.34 +/- 0.19  98.345% * 98.1588% (1.00  10.0 10.00   4.31 113.99) =  99.987%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  10.05 +/- 3.02   1.160% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  65 - QB    LYS+  66   6.14 +/- 0.62   0.414% *  0.7128% (0.73   1.0 10.00   0.02  25.52) =   0.003%
          HB3   LYS+ 121 - QB    LYS+  66  10.42 +/- 2.54   0.068% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.56 +/- 1.74   0.004% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.24 +/- 1.00   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.49 +/- 2.25   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.71 +/- 0.78   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.60 +/- 0.62   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 114.0:
    *   T QE    LYS+  66 - QB    LYS+  66   3.18 +/- 0.58  99.841% * 99.6609% (1.00 10.00   3.92 113.99) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66  10.41 +/- 0.85   0.155% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  19.79 +/- 0.94   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  21.00 +/- 0.98   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 114.0:
    * O T HA    LYS+  66 - QG    LYS+  66   2.56 +/- 0.40  89.913% * 99.8680% (1.00  10.0 10.00   4.31 113.99) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.92 +/- 0.92   1.268% *  0.0769% (0.08   1.0 10.00   0.02  11.49) =   0.001%
          HA1   GLY   16 - HG    LEU   67   6.43 +/- 2.47   8.467% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   8.66 +/- 1.89   0.349% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.02 +/- 1.12   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.57 +/- 1.70   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  26.73 +/- 1.42   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  27.87 +/- 1.82   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 113.4:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.02  92.730% * 85.2612% (1.00  10.0 10.00   4.31 113.99) =  99.385%  kept
          QB    LYS+  65 - QG    LYS+  66   4.28 +/- 0.95   3.789% * 12.8587% (0.57   1.0  1.00   5.33  25.52) =   0.613%  kept
        T QB    LYS+  66 - HG    LEU   67   5.36 +/- 1.59   2.415% *  0.0656% (0.08   1.0 10.00   0.02  11.49) =   0.002%
          HG    LEU  123 - QG    LYS+  66   6.67 +/- 2.62   0.769% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.53 +/- 1.29   0.001% *  0.8065% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.13 +/- 1.92   0.129% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67   9.86 +/- 3.80   0.090% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.39 +/- 1.00   0.069% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.22 +/- 2.01   0.000% *  0.5857% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  12.14 +/- 1.29   0.003% *  0.0621% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.09 +/- 1.78   0.003% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.01 +/- 1.85   0.001% *  0.0765% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.55 +/- 2.15   0.001% *  0.0451% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.20 +/- 2.31   0.000% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.40 +/- 1.53   0.000% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.52 +/- 1.74   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.94 +/- 1.77   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.06 +/- 1.48   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 114.0:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  97.583% * 98.6006% (1.00  10.0 10.00   4.00 113.99) =  99.997%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  10.75 +/- 3.50   0.148% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HG    LEU   67   6.04 +/- 1.40   1.533% *  0.0759% (0.08   1.0 10.00   0.02  11.49) =   0.001%
          HG2   LYS+  65 - QG    LYS+  66   6.55 +/- 1.20   0.603% *  0.0716% (0.73   1.0  1.00   0.02  25.52) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  11.14 +/- 3.12   0.049% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  11.94 +/- 3.64   0.030% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.70 +/- 1.26   0.033% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.56 +/- 2.30   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.19 +/- 1.14   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  13.67 +/- 1.75   0.002% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  12.10 +/- 3.00   0.009% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.06 +/- 2.64   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.69 +/- 1.04   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.56 +/- 2.24   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.45 +/- 0.93   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.34 +/- 1.66   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  15.50 +/- 1.70   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.46 +/- 2.95   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 114.0:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.11  99.665% * 99.5585% (1.00  10.0 10.00   3.57 113.99) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.53 +/- 1.51   0.244% *  0.0766% (0.08   1.0 10.00   0.02  11.49) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  11.15 +/- 1.18   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.50 +/- 0.97   0.083% *  0.0024% (0.02   1.0  1.00   0.02   2.98) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.73 +/- 1.06   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.08 +/- 1.37   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.06 +/- 1.66   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.69 +/- 1.82   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 114.0:
    *   T HA    LYS+  66 - QD    LYS+  66   2.45 +/- 0.57  99.326% * 99.8184% (1.00 10.00   4.31 113.99) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   8.46 +/- 2.07   0.627% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  13.24 +/- 3.18   0.042% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  21.44 +/- 1.42   0.001% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  17.20 +/- 2.72   0.003% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  27.34 +/- 1.52   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  23.27 +/- 2.44   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  29.12 +/- 1.91   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.986, support = 4.34, residual support = 111.0:
    * O T QB    LYS+  66 - QD    LYS+  66   2.34 +/- 0.19  90.309% * 63.5425% (1.00  10.0 10.00   4.31 113.99) =  96.671%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.75 +/- 1.08   5.488% * 35.9749% (0.57   1.0 10.00   5.33  25.52) =   3.326%  kept
          HG    LEU  123 - QD    LYS+  66   6.99 +/- 2.97   2.875% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  66 - HD2   LYS+ 121  10.05 +/- 3.02   1.146% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HD2   LYS+ 121  13.60 +/- 2.65   0.068% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   7.94 +/- 0.90   0.085% *  0.0045% (0.07   1.0  1.00   0.02   2.52) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.91 +/- 1.60   0.007% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.45 +/- 1.52   0.002% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.97 +/- 2.19   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  17.06 +/- 2.20   0.001% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.32 +/- 2.45   0.001% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.25 +/- 2.19   0.007% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  12.96 +/- 2.33   0.005% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.76 +/- 2.27   0.002% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.38 +/- 2.00   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  16.07 +/- 1.65   0.001% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  15.74 +/- 2.25   0.002% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.38 +/- 1.41   0.000% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 114.0:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  97.994% * 98.6304% (1.00  10.0 10.00   4.00 113.99) =  99.994%  kept
        T HG    LEU   67 - QD    LYS+  66   6.04 +/- 1.40   1.525% *  0.3702% (0.38   1.0 10.00   0.02  11.49) =   0.006%
        T QG    LYS+  66 - HD2   LYS+ 121  10.75 +/- 3.50   0.149% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   6.44 +/- 0.94   0.185% *  0.0933% (0.95   1.0  1.00   0.02  11.49) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.92 +/- 1.07   0.057% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  11.94 +/- 3.64   0.030% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  10.43 +/- 2.68   0.017% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.00 +/- 1.16   0.011% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  11.80 +/- 2.25   0.008% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.62 +/- 2.60   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  12.07 +/- 2.60   0.009% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.04 +/- 1.10   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.03 +/- 1.98   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.82 +/- 1.39   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  14.95 +/- 3.45   0.002% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.80 +/- 1.56   0.002% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  20.10 +/- 3.05   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.41 +/- 1.44   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  16.68 +/- 1.92   0.001% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  25.17 +/- 2.61   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.93 +/- 2.54   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  24.30 +/- 2.22   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  27.51 +/- 4.22   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  26.35 +/- 3.62   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 = 3.47, residual support = 114.0:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.952% * 99.4957% (1.00  10.0 10.00   3.47 113.99) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  11.12 +/- 3.53   0.036% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  10.44 +/- 1.55   0.011% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.27 +/- 1.18   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  21.66 +/- 1.47   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.89 +/- 2.45   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  24.69 +/- 1.32   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  22.14 +/- 2.72   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 114.0:
    *   T HA    LYS+  66 - QE    LYS+  66   3.92 +/- 0.39  93.759% * 99.7309% (1.00 10.00   3.94 113.99) =  99.999%  kept
          HA1   GLY   16 - QE    LYS+  66   9.94 +/- 2.46   5.023% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.68 +/- 0.81   1.203% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  22.82 +/- 1.09   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  22.64 +/- 1.46   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.81 +/- 0.63   0.006% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  28.30 +/- 1.55   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  26.53 +/- 1.26   0.001% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 3.93, residual support = 112.5:
    *   T QB    LYS+  66 - QE    LYS+  66   3.18 +/- 0.58  74.570% * 87.7592% (1.00 10.00   3.92 113.99) =  98.313%  kept
          QB    LYS+  65 - QE    LYS+  66   5.75 +/- 1.25   9.684% * 11.5155% (0.57  1.00   4.64  25.52) =   1.675%  kept
          HG    LEU  123 - QE    LYS+  66   6.52 +/- 3.17  15.657% *  0.0497% (0.57  1.00   0.02   0.02) =   0.012%
          HB2   LEU   71 - QE    LYS+  66  14.28 +/- 1.81   0.033% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.59 +/- 1.49   0.006% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.24 +/- 2.00   0.006% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  19.79 +/- 0.94   0.002% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.59 +/- 2.28   0.005% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  19.02 +/- 2.43   0.003% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.86 +/- 1.48   0.011% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.49 +/- 2.00   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.05 +/- 1.98   0.008% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.40 +/- 1.23   0.004% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.02 +/- 1.08   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.81 +/- 0.73   0.003% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.62 +/- 1.49   0.001% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  23.23 +/- 1.05   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.87 +/- 1.95   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 114.0:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.11  99.146% * 98.5716% (1.00  10.0 10.00   3.57 113.99) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.53 +/- 1.51   0.243% *  0.3700% (0.38   1.0 10.00   0.02  11.49) =   0.001%
          HB3   LEU   67 - QE    LYS+  66   7.91 +/- 0.84   0.057% *  0.0932% (0.95   1.0  1.00   0.02  11.49) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.54 +/- 1.10   0.036% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   7.58 +/- 1.53   0.139% *  0.0133% (0.13   1.0  1.00   0.02   2.43) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.09 +/- 1.01   0.358% *  0.0036% (0.04   1.0  1.00   0.02   2.43) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.54 +/- 2.56   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.79 +/- 2.09   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.94 +/- 1.90   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.63 +/- 1.12   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.34 +/- 1.25   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.28 +/- 1.78   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.17 +/- 1.10   0.002% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.73 +/- 1.06   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  20.74 +/- 3.20   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.49 +/- 2.24   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.53 +/- 0.97   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.06 +/- 1.66   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.49 +/- 1.28   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  26.35 +/- 2.86   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.29 +/- 1.32   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.67 +/- 1.36   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  25.40 +/- 2.44   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.57 +/- 1.36   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 114.0:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  98.548% * 98.3437% (1.00  10.0 10.00   3.47 113.99) =  99.999%  kept
          HG2   LYS+  65 - QE    LYS+  66   8.25 +/- 1.77   1.274% *  0.0714% (0.73   1.0  1.00   0.02  25.52) =   0.001%
        T HD2   LYS+ 121 - QE    LYS+  66  11.12 +/- 3.53   0.036% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  11.41 +/- 3.37   0.029% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.77 +/- 0.99   0.054% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.90 +/- 0.86   0.044% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   9.91 +/- 0.96   0.011% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.08 +/- 2.58   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.81 +/- 2.92   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.83 +/- 1.32   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.27 +/- 1.18   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.32 +/- 1.27   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.63 +/- 1.27   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  24.69 +/- 1.32   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  18.50 +/- 1.69   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.39 +/- 1.08   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.38 +/- 1.26   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  25.03 +/- 1.52   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 34.9:
    * O T HB2   PRO   68 - HA    PRO   68   2.71 +/- 0.09  99.995% * 98.6006% (0.84  10.0 10.00   2.00  34.95) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.74 +/- 1.82   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  23.44 +/- 1.81   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.56 +/- 1.39   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 34.9:
    * O T HA    PRO   68 - HB2   PRO   68   2.71 +/- 0.09 100.000% * 99.1920% (0.84  10.0 10.00   2.00  34.95) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  23.44 +/- 1.81   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.7:
    * O T HB2   ASN   69 - HA    ASN   69   2.58 +/- 0.15  99.956% * 99.7955% (1.00  10.0 10.00   3.31  59.68) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  11.03 +/- 1.09   0.027% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.72 +/- 2.97   0.017% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.36 +/- 0.89   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.68 +/- 1.20   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.7:
    * O T HB3   ASN   69 - HA    ASN   69   2.56 +/- 0.24  99.969% * 99.7714% (1.00  10.0 10.00   3.00  59.68) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69  10.31 +/- 0.74   0.027% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.65 +/- 1.06   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.05 +/- 1.19   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.7:
    * O T HA    ASN   69 - HB2   ASN   69   2.58 +/- 0.15  99.997% * 99.8126% (1.00  10.0 10.00   3.31  59.68) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.77 +/- 0.79   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.40 +/- 0.88   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.7:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.999% * 99.7714% (1.00  10.0 10.00   3.97  59.68) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.72 +/- 0.74   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  15.95 +/- 0.96   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.36 +/- 1.09   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.7:
    * O T HA    ASN   69 - HB3   ASN   69   2.56 +/- 0.24  99.997% * 99.8126% (1.00  10.0 10.00   3.00  59.68) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  16.20 +/- 0.97   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  22.81 +/- 0.74   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.7:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.997% * 99.7955% (1.00  10.0 10.00   3.97  59.68) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.05 +/- 1.25   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  13.75 +/- 2.81   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.01 +/- 1.02   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.28 +/- 1.00   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 = 81.6:
    * O T HB    VAL   70 - HA    VAL   70   2.87 +/- 0.28  99.114% * 97.2460% (1.00  10.0 10.00   4.31  81.61) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70   9.94 +/- 1.20   0.068% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  11.25 +/- 3.04   0.066% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   8.02 +/- 2.21   0.516% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.46 +/- 1.56   0.082% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70   9.92 +/- 1.04   0.087% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.65 +/- 0.78   0.017% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.18 +/- 1.23   0.040% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.68 +/- 1.96   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  22.99 +/- 1.72   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  18.25 +/- 3.07   0.002% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  26.85 +/- 2.16   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.82 +/- 1.09   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.57 +/- 0.50   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  18.51 +/- 1.29   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.33 +/- 1.64   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  20.75 +/- 0.71   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  29.14 +/- 3.63   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.83 +/- 4.00   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  31.43 +/- 1.11   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  31.90 +/- 2.21   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 4.92, residual support = 81.1:
    * O T QG1   VAL   70 - HA    VAL   70   2.59 +/- 0.35  94.612% * 80.6568% (1.00  10.0 10.00   4.92  81.61) =  98.872%  kept
          QD1   LEU   71 - HA    VAL   70   5.25 +/- 0.84   5.143% * 16.9196% (0.92   1.0  1.00   4.54  32.83) =   1.128%  kept
        T QG1   VAL   18 - HA    VAL   70   9.58 +/- 0.75   0.048% *  0.7906% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   9.04 +/- 1.19   0.121% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.84 +/- 2.36   0.040% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  12.25 +/- 1.44   0.015% *  0.1801% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.02 +/- 1.23   0.002% *  0.3831% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.85 +/- 1.17   0.015% *  0.0489% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  23.20 +/- 2.02   0.000% *  0.3909% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.93 +/- 1.21   0.001% *  0.1838% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.67 +/- 1.71   0.000% *  0.1696% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  19.50 +/- 2.08   0.001% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.58 +/- 1.48   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.07 +/- 1.24   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.94 +/- 2.41   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.92 +/- 1.93   0.000% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  28.08 +/- 3.24   0.000% *  0.0237% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.91 +/- 0.79   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 0.06 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.6:
    * O T QG2   VAL   70 - HA    VAL   70   2.39 +/- 0.15  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.61) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  21.01 +/- 2.03   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  19.26 +/- 0.67   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.6:
    * O T HA    VAL   70 - HB    VAL   70   2.87 +/- 0.28  88.756% * 98.3567% (1.00  10.0 10.00   4.31  81.61) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   5.34 +/- 0.68   2.849% *  0.0125% (0.13   1.0  1.00   0.02  50.08) =   0.000%
          HA1   GLY   16 - QG    GLN   17   4.57 +/- 0.42   6.973% *  0.0036% (0.04   1.0  1.00   0.02  16.52) =   0.000%
          HA1   GLY   16 - HB    VAL   70   6.76 +/- 1.30   1.061% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.33 +/- 0.74   0.207% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17   9.94 +/- 1.20   0.061% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.38 +/- 1.51   0.054% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.41 +/- 1.91   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.34 +/- 0.84   0.006% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.80 +/- 0.68   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.43 +/- 1.64   0.012% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  26.85 +/- 2.16   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.49 +/- 1.82   0.005% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.82 +/- 1.09   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.68 +/- 1.96   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.99 +/- 1.72   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  17.15 +/- 1.73   0.003% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.61 +/- 1.17   0.001% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 81.6:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  98.858% * 99.3444% (1.00  10.0 10.00   5.34  81.61) =  99.999%  kept
          HB3   LEU   63 - HB    VAL   70   6.89 +/- 1.37   0.272% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   70   6.79 +/- 0.59   0.125% *  0.0917% (0.92   1.0  1.00   0.02  32.83) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.88 +/- 0.73   0.503% *  0.0181% (0.18   1.0  1.00   0.02  50.08) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.01 +/- 1.14   0.034% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   9.20 +/- 3.04   0.069% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.98 +/- 1.06   0.023% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.01 +/- 1.46   0.101% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.55 +/- 0.96   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.60 +/- 1.04   0.008% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.38 +/- 1.82   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.97 +/- 1.30   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 = 81.6:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.974% * 99.8146% (0.80  10.0 10.00   4.31  81.61) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.67 +/- 0.83   0.026% *  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 = 4.92, residual support = 81.6:
    * O T HA    VAL   70 - QG1   VAL   70   2.59 +/- 0.35  94.249% * 98.1637% (1.00  10.0 10.00   4.92  81.61) =  99.996%  kept
        T HA    VAL   18 - QG1   VAL   70   8.30 +/- 1.14   0.383% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QG1   VAL   70   6.68 +/- 1.51   5.189% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70   8.39 +/- 1.58   0.153% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  11.98 +/- 0.78   0.014% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.85 +/- 1.65   0.008% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.22 +/- 0.61   0.003% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  23.20 +/- 2.02   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.93 +/- 1.21   0.000% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 81.6:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.904% * 98.7774% (1.00  10.0 10.00   5.34  81.61) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.01 +/- 1.14   0.035% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.18 +/- 1.98   0.034% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.53 +/- 0.71   0.008% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.37 +/- 1.16   0.019% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.58 +/- 0.63   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.94 +/- 1.11   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.92, residual support = 81.6:
    * O T QG2   VAL   70 - QG1   VAL   70   2.06 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.92  81.61) = 100.000%  kept
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.6:
    * O T HA    VAL   70 - QG2   VAL   70   2.39 +/- 0.15  97.994% * 98.7631% (0.80  10.0 10.00   4.00  81.61) =  99.999%  kept
          HA1   GLY   16 - QG2   VAL   70   7.03 +/- 1.36   1.672% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG2   VAL   70   6.89 +/- 0.49   0.200% *  0.0678% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   7.94 +/- 1.20   0.111% *  0.0481% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.79 +/- 0.74   0.014% *  0.0857% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.84 +/- 1.59   0.005% *  0.0988% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.35 +/- 0.63   0.004% *  0.0717% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  21.01 +/- 2.03   0.000% *  0.5990% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  19.26 +/- 0.67   0.000% *  0.2463% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.6:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.886% * 98.7774% (0.80  10.0 10.00   4.31  81.61) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.67 +/- 0.83   0.026% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.56 +/- 0.75   0.027% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.90 +/- 1.26   0.027% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.10 +/- 1.09   0.033% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.45 +/- 0.48   0.000% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  15.99 +/- 0.59   0.001% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.92, residual support = 81.6:
    * O T QG1   VAL   70 - QG2   VAL   70   2.06 +/- 0.05  98.459% * 99.6017% (0.80  10.0 10.00   4.92  81.61) =  99.999%  kept
          QD1   LEU   71 - QG2   VAL   70   5.06 +/- 0.48   0.578% *  0.0919% (0.74   1.0  1.00   0.02  32.83) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.80 +/- 1.06   0.758% *  0.0564% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.12 +/- 2.47   0.104% *  0.0919% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.19 +/- 0.83   0.071% *  0.0976% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.36 +/- 0.87   0.030% *  0.0604% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.2:
    * O T HB2   LEU   71 - HA    LEU   71   2.93 +/- 0.18  99.082% * 99.5520% (1.00  10.0 10.00   5.31 138.25) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   8.37 +/- 1.36   0.329% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   7.68 +/- 1.08   0.478% *  0.0340% (0.34   1.0  1.00   0.02   3.03) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.84 +/- 0.73   0.045% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.53 +/- 0.43   0.049% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.47 +/- 1.27   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.51 +/- 1.43   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.51 +/- 2.01   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.2:
    * O T HB3   LEU   71 - HA    LEU   71   2.63 +/- 0.14  99.992% * 99.6783% (1.00  10.0 10.00   4.31 138.25) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.57 +/- 1.12   0.007% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  24.00 +/- 2.68   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.21 +/- 2.11   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.37 +/- 2.60   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  22.79 +/- 1.28   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.02, residual support = 135.3:
    *   T QD1   LEU   71 - HA    LEU   71   3.45 +/- 0.50  84.766% * 81.8901% (1.00 10.00   4.00 138.25) =  97.179%  kept
          QG1   VAL   70 - HA    LEU   71   5.28 +/- 0.59  11.267% * 17.8632% (0.92  1.00   4.73  32.83) =   2.818%  kept
          QG1   VAL   18 - HA    LEU   71   6.69 +/- 0.86   2.752% *  0.0684% (0.84  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    LEU   71   9.02 +/- 1.51   1.068% *  0.0279% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  12.65 +/- 2.23   0.084% *  0.0819% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.15 +/- 1.86   0.064% *  0.0684% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.2:
    *   T QD2   LEU   71 - HA    LEU   71   2.01 +/- 0.28  94.506% * 99.6055% (1.00 10.00   5.00 138.25) =  99.998%  kept
          QD2   LEU   40 - HA    LEU   71   6.86 +/- 1.41   4.318% *  0.0409% (0.41  1.00   0.02   1.44) =   0.002%
          QD1   LEU   67 - HA    LEU   71   6.06 +/- 1.70   1.168% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    LEU   71  13.35 +/- 1.27   0.002% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.87 +/- 0.80   0.002% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  12.88 +/- 1.65   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.50 +/- 1.37   0.002% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.2:
    * O T HA    LEU   71 - HB2   LEU   71   2.93 +/- 0.18  99.813% * 99.9402% (1.00  10.0 10.00   5.31 138.25) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.78 +/- 0.44   0.146% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.08 +/- 1.03   0.041% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.2:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 138.25) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  13.25 +/- 1.16   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.02 +/- 2.83   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  24.81 +/- 2.96   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.45 +/- 3.08   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  22.34 +/- 1.32   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 138.2:
    * O T QD1   LEU   71 - HB2   LEU   71   2.32 +/- 0.15  98.710% * 99.6081% (1.00  10.0 10.00   4.95 138.25) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   5.97 +/- 0.46   0.428% *  0.0919% (0.92   1.0  1.00   0.02  32.83) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.24 +/- 2.14   0.737% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   7.95 +/- 1.05   0.102% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  13.17 +/- 2.03   0.018% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.40 +/- 2.21   0.005% *  0.0996% (1.00   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 = 138.2:
    * O T QD2   LEU   71 - HB2   LEU   71   3.20 +/- 0.02  87.537% * 99.6055% (1.00  10.0 10.00   5.44 138.25) =  99.994%  kept
          QD2   LEU   40 - HB2   LEU   71   6.07 +/- 1.26   6.617% *  0.0409% (0.41   1.0  1.00   0.02   1.44) =   0.003%
          QD1   LEU   67 - HB2   LEU   71   7.27 +/- 1.72   5.750% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HB2   LEU   71  12.06 +/- 1.03   0.032% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  13.70 +/- 2.07   0.017% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.37 +/- 1.27   0.026% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.10 +/- 0.83   0.021% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.2:
    * O T HA    LEU   71 - HB3   LEU   71   2.63 +/- 0.14  99.905% * 99.9402% (1.00  10.0 10.00   4.31 138.25) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   9.19 +/- 0.95   0.069% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  10.85 +/- 1.18   0.026% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.2:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.919% * 99.3538% (1.00  10.0 10.00   4.97 138.25) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.63 +/- 1.21   0.074% *  0.0339% (0.34   1.0  1.00   0.02   3.03) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  10.27 +/- 1.37   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.63 +/- 1.31   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.65 +/- 1.11   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.99 +/- 1.24   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.52 +/- 1.11   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.32 +/- 2.52   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.69, residual support = 138.2:
    * O T QD1   LEU   71 - HB3   LEU   71   2.65 +/- 0.44  98.369% * 99.6081% (1.00  10.0 10.00   3.69 138.25) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU   71   6.11 +/- 0.48   1.119% *  0.0919% (0.92   1.0  1.00   0.02  32.83) =   0.001%
          QG1   VAL   18 - HB3   LEU   71   7.80 +/- 0.88   0.205% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  10.42 +/- 2.29   0.287% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  13.59 +/- 2.03   0.010% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.88 +/- 2.09   0.009% *  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 = 138.2:
    * O T QD2   LEU   71 - HB3   LEU   71   2.48 +/- 0.12  98.104% * 99.6055% (1.00  10.0 10.00   4.44 138.25) =  99.999%  kept
          QD1   LEU   67 - HB3   LEU   71   7.46 +/- 1.61   0.956% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB3   LEU   71   6.68 +/- 1.08   0.909% *  0.0409% (0.41   1.0  1.00   0.02   1.44) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  13.88 +/- 2.04   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.69 +/- 1.20   0.007% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.01 +/- 1.48   0.009% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  12.97 +/- 1.03   0.006% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 138.2:
    *   T HA    LEU   71 - QD1   LEU   71   3.45 +/- 0.50  98.749% * 99.9402% (1.00 10.00   4.00 138.25) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   8.47 +/- 1.23   0.791% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.09 +/- 1.78   0.461% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 138.2:
    * O T HB2   LEU   71 - QD1   LEU   71   2.32 +/- 0.15  97.423% * 99.5520% (1.00  10.0 10.00   4.95 138.25) =  99.999%  kept
          HB    VAL   41 - QD1   LEU   71   6.31 +/- 1.75   2.410% *  0.0340% (0.34   1.0  1.00   0.02   3.03) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.87 +/- 1.76   0.079% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   8.74 +/- 1.55   0.055% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.22 +/- 1.38   0.016% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.81 +/- 1.21   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.09 +/- 1.41   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.83 +/- 2.65   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.69, residual support = 138.2:
    * O T HB3   LEU   71 - QD1   LEU   71   2.65 +/- 0.44  99.975% * 99.6783% (1.00  10.0 10.00   3.69 138.25) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  12.11 +/- 1.48   0.021% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.32 +/- 3.20   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.99 +/- 2.95   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  19.41 +/- 1.60   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  20.95 +/- 3.38   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 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 = 4.13, residual support = 138.2:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.06  98.241% * 99.6055% (1.00  10.0 10.00   4.13 138.25) =  99.999%  kept
          QD1   LEU   67 - QD1   LEU   71   6.97 +/- 1.63   1.519% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD1   LEU   71   6.59 +/- 1.18   0.194% *  0.0409% (0.41   1.0  1.00   0.02   1.44) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.50 +/- 2.26   0.028% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.20 +/- 1.27   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.25 +/- 1.44   0.006% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.56 +/- 1.61   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.2:
    *   T HA    LEU   71 - QD2   LEU   71   2.01 +/- 0.28  99.949% * 99.9402% (1.00 10.00   5.00 138.25) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   8.62 +/- 1.01   0.022% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   8.80 +/- 0.87   0.029% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 138.2:
    * O T HB2   LEU   71 - QD2   LEU   71   3.20 +/- 0.02  96.054% * 99.3538% (1.00  10.0 10.00   5.44 138.25) =  99.998%  kept
          HB3   GLN   17 - QD2   LEU   71   6.89 +/- 1.48   2.146% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD2   LEU   71   7.44 +/- 1.29   1.241% *  0.0339% (0.34   1.0  1.00   0.02   3.03) =   0.000%
          QB    LYS+  66 - QD2   LEU   71   9.94 +/- 1.22   0.321% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU   71   9.97 +/- 1.12   0.161% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.26 +/- 1.55   0.041% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.91 +/- 1.37   0.031% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.70 +/- 2.08   0.005% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.2:
    * O T HB3   LEU   71 - QD2   LEU   71   2.48 +/- 0.12  99.989% * 99.2790% (1.00  10.0 10.00   4.44 138.25) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.47 +/- 1.20   0.009% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.08 +/- 2.72   0.001% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  20.94 +/- 2.50   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.60 +/- 2.65   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  20.00 +/- 1.28   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 138.2:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.06  99.175% * 99.6081% (1.00  10.0 10.00   4.13 138.25) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU   71   5.52 +/- 0.66   0.410% *  0.0919% (0.92   1.0  1.00   0.02  32.83) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.15 +/- 0.90   0.240% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71   9.18 +/- 1.88   0.159% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.14 +/- 2.29   0.011% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  11.70 +/- 1.92   0.005% *  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 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.07, residual support = 90.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.77 +/- 0.23  98.830% * 99.8683% (0.64  10.0 10.00   4.07  90.12) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   6.13 +/- 0.48   1.147% *  0.0868% (0.55   1.0  1.00   0.02  39.44) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.50 +/- 0.58   0.023% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.59, residual support = 90.1:
    * O T HB3   PHE   72 - HA    PHE   72   2.86 +/- 0.27  98.293% * 99.4196% (0.66  10.0 10.00   4.59  90.12) =  99.998%  kept
          HB2   ASP-  44 - HA    PHE   72   6.10 +/- 0.67   1.464% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   9.08 +/- 1.49   0.196% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  12.96 +/- 1.62   0.019% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.83 +/- 1.30   0.015% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.55 +/- 1.05   0.012% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  19.75 +/- 0.84   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  20.34 +/- 1.25   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 90.1:
    * O T HA    PHE   72 - HB2   PHE   72   2.77 +/- 0.23 100.000% *100.0000% (0.64  10.0 10.00   4.07  90.12) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.15, residual support = 90.1:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.782% * 99.4196% (0.72  10.0 10.00   4.15  90.12) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   5.66 +/- 1.30   0.205% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.74 +/- 1.16   0.009% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  12.20 +/- 1.91   0.002% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.67 +/- 1.63   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.68 +/- 0.59   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.61 +/- 1.40   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.93 +/- 1.52   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 = 4.59, residual support = 90.1:
    * O T HA    PHE   72 - HB3   PHE   72   2.86 +/- 0.27 100.000% *100.0000% (0.66  10.0 10.00   4.59  90.12) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 4.15, residual support = 90.1:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.590% * 99.8683% (0.72  10.0 10.00   4.15  90.12) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.52 +/- 0.44   0.408% *  0.0868% (0.63   1.0  1.00   0.02  39.44) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.43 +/- 0.79   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.7:
    * O T HB2   LEU   73 - HA    LEU   73   2.52 +/- 0.30  99.975% * 99.4108% (1.00  10.0 10.00   5.00 170.69) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  14.78 +/- 1.06   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.17 +/- 1.53   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.27 +/- 1.31   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.13 +/- 1.82   0.002% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  16.84 +/- 1.21   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.43 +/- 1.19   0.005% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.89 +/- 1.03   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  19.68 +/- 1.60   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.81 +/- 1.64   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 170.7:
    * O T HB3   LEU   73 - HA    LEU   73   2.74 +/- 0.30  94.708% * 99.1728% (1.00  10.0 10.00   5.15 170.69) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.73 +/- 0.39   4.639% *  0.0174% (0.18   1.0  1.00   0.02  40.74) =   0.001%
          HB    VAL   42 - HA    LEU   73   7.08 +/- 0.78   0.525% *  0.0983% (0.99   1.0  1.00   0.02   1.21) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  11.44 +/- 1.21   0.026% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  10.07 +/- 0.90   0.050% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  13.15 +/- 1.17   0.010% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.72 +/- 1.05   0.018% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.11 +/- 1.57   0.008% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.04 +/- 1.15   0.003% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.66 +/- 1.54   0.004% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  14.61 +/- 0.83   0.005% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.27 +/- 0.75   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.65 +/- 1.49   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.24 +/- 2.05   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.50 +/- 1.06   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.7:
    *   T QD1   LEU   73 - HA    LEU   73   3.82 +/- 0.17  97.818% * 98.2281% (1.00 10.00   5.00 170.69) =  99.991%  kept
        T QD1   LEU   63 - HA    LEU   73   9.40 +/- 1.47   0.800% *  0.9823% (1.00 10.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - HA    LEU   73  10.85 +/- 3.10   0.625% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  13.25 +/- 1.06   0.064% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73   9.90 +/- 1.28   0.475% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  14.54 +/- 1.53   0.041% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  11.36 +/- 1.27   0.178% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.7:
    *   T QD2   LEU   73 - HA    LEU   73   2.46 +/- 0.61  98.488% * 99.4036% (1.00 10.00   6.18 170.69) =  99.999%  kept
          QG1   VAL   43 - HA    LEU   73   5.95 +/- 0.80   1.026% *  0.0276% (0.28  1.00   0.02   8.05) =   0.000%
          QG1   VAL   41 - HA    LEU   73   7.54 +/- 1.30   0.398% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.33 +/- 0.75   0.078% *  0.0959% (0.97  1.00   0.02   3.25) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.01 +/- 1.42   0.009% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  18.54 +/- 1.23   0.001% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.7:
    * O T HA    LEU   73 - HB2   LEU   73   2.52 +/- 0.30 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.69) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 170.7:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.825% * 95.5463% (1.00  10.0 10.00   5.15 170.69) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   7.20 +/- 1.17   0.085% *  0.0947% (0.99   1.0  1.00   0.02   1.21) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  11.05 +/- 1.52   0.002% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.95 +/- 0.44   0.072% *  0.0167% (0.18   1.0  1.00   0.02  40.74) =   0.000%
          QB    LEU   98 - HB2   LEU   73   8.92 +/- 1.23   0.009% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.92 +/- 1.48   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.05 +/- 1.18   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  14.13 +/- 1.48   0.000% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.32 +/- 1.65   0.005% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  17.97 +/- 1.12   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.81 +/- 1.22   0.000% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.94 +/- 1.83   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.89 +/- 1.80   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.10 +/- 2.31   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.90 +/- 1.29   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 = 170.7:
    * O T QD1   LEU   73 - HB2   LEU   73   2.31 +/- 0.17  99.747% * 98.2281% (1.00  10.0 10.00   5.00 170.69) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.88 +/- 1.88   0.083% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU   73  10.13 +/- 3.67   0.078% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.83 +/- 1.52   0.007% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.44 +/- 1.73   0.059% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73  10.18 +/- 1.62   0.023% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  14.85 +/- 1.81   0.002% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 6.16, residual support = 169.5:
    * O T QD2   LEU   73 - HB2   LEU   73   2.75 +/- 0.31  83.263% * 95.0293% (1.00  10.0 10.00   6.18 170.69) =  99.271%  kept
          QG1   VAL   43 - HB2   LEU   73   4.51 +/- 1.33  15.869% *  3.6599% (0.28   1.0  1.00   2.77   8.05) =   0.729%  kept
          HG    LEU   31 - HB2   LEU   73   7.56 +/- 0.91   0.285% *  0.0917% (0.97   1.0  1.00   0.02   3.25) =   0.000%
          QG1   VAL   41 - HB2   LEU   73   6.94 +/- 1.21   0.573% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.34 +/- 1.70   0.008% *  0.8523% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  18.29 +/- 1.52   0.001% *  0.3242% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.15, residual support = 170.7:
    * O T HA    LEU   73 - HB3   LEU   73   2.74 +/- 0.30 100.000% *100.0000% (1.00  10.0 10.00   5.15 170.69) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 170.7:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 98.2609% (1.00  10.0 10.00   5.15 170.69) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.40 +/- 1.06   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  13.68 +/- 1.74   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.27 +/- 1.24   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  21.92 +/- 2.11   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  15.78 +/- 1.58   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.21 +/- 1.43   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.55 +/- 1.89   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  13.66 +/- 1.35   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.00 +/- 1.84   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 170.7:
    * O T QD1   LEU   73 - HB3   LEU   73   2.42 +/- 0.19  99.748% * 97.5376% (1.00  10.0 10.00   5.09 170.69) =  99.998%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.03 +/- 3.69   0.119% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   73   9.58 +/- 1.61   0.060% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB3   LEU   73  12.60 +/- 1.34   0.010% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.20 +/- 1.44   0.030% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   9.96 +/- 1.40   0.030% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.51 +/- 1.63   0.003% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.34, residual support = 170.5:
    * O T QD2   LEU   73 - HB3   LEU   73   2.97 +/- 0.33  72.905% * 99.1570% (1.00  10.0 10.00   6.35 170.69) =  99.900%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.11 +/- 1.15  25.916% *  0.2757% (0.28   1.0 10.00   0.02   8.05) =   0.099%
          HG    LEU   31 - HB3   LEU   73   7.60 +/- 0.94   0.370% *  0.0957% (0.97   1.0  1.00   0.02   3.25) =   0.000%
          QG1   VAL   41 - HB3   LEU   73   6.83 +/- 1.20   0.792% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  12.98 +/- 1.61   0.014% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  17.94 +/- 1.50   0.002% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.7:
    *   T HA    LEU   73 - QD1   LEU   73   3.82 +/- 0.17  99.121% * 98.7705% (1.00 10.00   5.00 170.69) =  99.992%  kept
        T HA    LEU   73 - QD1   LEU   63   9.40 +/- 1.47   0.814% *  0.9877% (1.00 10.00   0.02   0.02) =   0.008%
        T HA    LEU   73 - QD1   LEU  104  13.25 +/- 1.06   0.064% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.949, support = 4.81, residual support = 161.7:
    * O T HB2   LEU   73 - QD1   LEU   73   2.31 +/- 0.17  32.568% * 91.8251% (1.00  10.0 10.00   5.00 170.69) =  94.152%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.42 +/- 0.43  28.923% *  3.9453% (0.05   1.0 10.00   1.58  17.08) =   3.593%  kept
          QD    LYS+  99 - QD1   LEU  104   2.39 +/- 0.71  37.872% *  1.8907% (0.23   1.0  1.00   1.82  17.08) =   2.254%  kept
        T HB2   LEU   73 - QD1   LEU   63   9.88 +/- 1.88   0.021% *  0.9183% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD1   LEU   63   5.01 +/- 0.84   0.370% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   8.54 +/- 1.78   0.029% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.74 +/- 1.20   0.129% *  0.0092% (0.10   1.0  1.00   0.02   0.11) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   9.26 +/- 1.26   0.009% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.38 +/- 1.32   0.011% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.69 +/- 1.43   0.006% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.56 +/- 1.02   0.020% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.83 +/- 1.52   0.002% *  0.2248% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.04 +/- 1.05   0.004% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.36 +/- 1.35   0.003% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.42 +/- 1.33   0.003% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.12 +/- 1.66   0.002% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  10.03 +/- 2.60   0.011% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.70 +/- 1.33   0.006% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.40 +/- 1.14   0.005% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  14.48 +/- 0.95   0.001% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.42 +/- 1.06   0.001% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.45 +/- 1.11   0.002% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.58 +/- 1.25   0.001% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.08 +/- 1.35   0.001% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  17.36 +/- 1.61   0.000% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.33 +/- 1.56   0.000% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  12.89 +/- 0.85   0.001% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  16.67 +/- 2.23   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.64 +/- 0.77   0.000% *  0.0217% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.90 +/- 1.31   0.000% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 170.7:
    * O T HB3   LEU   73 - QD1   LEU   73   2.42 +/- 0.19  92.214% * 96.9771% (1.00  10.0 10.00   5.09 170.69) =  99.995%  kept
          HB    VAL   42 - QD1   LEU   63   5.43 +/- 1.28   2.168% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   73 - QD1   LEU   63   9.58 +/- 1.61   0.053% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   6.33 +/- 0.47   0.332% *  0.0961% (0.99   1.0  1.00   0.02   1.21) =   0.000%
          QB    LEU   98 - QD1   LEU   73   6.01 +/- 0.93   0.682% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   7.64 +/- 1.19   0.200% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.83 +/- 1.28   0.452% *  0.0237% (0.24   1.0  1.00   0.02   0.11) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.35 +/- 0.84   0.073% *  0.0961% (0.99   1.0  1.00   0.02   1.46) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.70 +/- 1.22   0.193% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.76 +/- 0.49   0.784% *  0.0089% (0.09   1.0  1.00   0.02   6.58) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   6.41 +/- 2.18   1.450% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.13 +/- 1.06   0.196% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   7.87 +/- 1.22   0.161% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.43 +/- 1.19   0.038% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.85 +/- 0.26   0.190% *  0.0170% (0.18   1.0  1.00   0.02  40.74) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.79 +/- 0.69   0.135% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.78 +/- 1.41   0.023% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.60 +/- 1.34   0.008% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.43 +/- 1.33   0.122% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.86 +/- 0.66   0.285% *  0.0059% (0.06   1.0  1.00   0.02   6.58) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.41 +/- 1.28   0.040% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.92 +/- 0.97   0.008% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.40 +/- 1.59   0.021% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.87 +/- 1.24   0.028% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.33 +/- 0.91   0.004% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.48 +/- 1.46   0.020% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   9.01 +/- 2.11   0.082% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  14.17 +/- 0.80   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  12.04 +/- 1.23   0.007% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.37 +/- 1.72   0.002% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.03 +/- 1.31   0.005% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  14.32 +/- 1.33   0.003% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  16.17 +/- 1.67   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.77 +/- 1.27   0.003% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.71 +/- 1.16   0.002% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.34 +/- 1.29   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.02 +/- 1.86   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.81 +/- 1.01   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.17 +/- 1.31   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.73 +/- 1.17   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.68 +/- 0.91   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.62 +/- 0.90   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.24 +/- 1.27   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.40 +/- 1.00   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  19.07 +/- 1.45   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.6:
    * O T QD2   LEU   73 - QD1   LEU   73   2.02 +/- 0.06  77.408% * 96.6209% (1.00  10.0 10.00   6.18 170.69) =  99.967%  kept
        T QG1   VAL   41 - QD1   LEU   73   4.22 +/- 0.94   3.950% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.023%
          QG1   VAL   43 - QD1   LEU   73   3.01 +/- 0.72  15.548% *  0.0269% (0.28   1.0  1.00   0.02   8.05) =   0.006%
          HG    LEU   31 - QD1   LEU   73   4.15 +/- 0.71   1.858% *  0.0932% (0.97   1.0  1.00   0.02   3.25) =   0.002%
        T QD2   LEU   73 - QD1   LEU   63   7.81 +/- 1.39   0.051% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   5.45 +/- 1.04   0.501% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - QD1   LEU  104   6.02 +/- 2.00   0.487% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.55 +/- 0.79   0.098% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.85 +/- 1.28   0.018% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.20 +/- 1.06   0.011% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.46 +/- 0.83   0.008% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.63 +/- 1.09   0.040% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  15.10 +/- 1.44   0.001% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.22 +/- 1.18   0.002% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.47 +/- 1.74   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.53 +/- 0.68   0.015% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  11.54 +/- 1.38   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  12.75 +/- 1.15   0.002% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.7:
    *   T HA    LEU   73 - QD2   LEU   73   2.46 +/- 0.61  99.999% * 99.6602% (1.00 10.00   6.18 170.69) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.54 +/- 1.23   0.001% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.7:
    * O T HB2   LEU   73 - QD2   LEU   73   2.75 +/- 0.31  94.925% * 98.3218% (1.00  10.0 10.00   6.18 170.69) =  99.998%  kept
          QD    LYS+ 106 - HG3   LYS+ 121   8.98 +/- 3.12   4.302% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HG3   LYS+ 121   8.29 +/- 0.58   0.164% *  0.2169% (0.22   1.0 10.00   0.02   2.52) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.57 +/- 1.26   0.030% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.17 +/- 2.25   0.182% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.50 +/- 0.99   0.055% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  11.57 +/- 1.66   0.034% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73   9.92 +/- 1.08   0.067% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  12.62 +/- 0.90   0.013% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.22 +/- 1.72   0.020% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121   9.91 +/- 2.51   0.133% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  14.63 +/- 1.41   0.008% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.93 +/- 1.09   0.015% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  18.29 +/- 1.52   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.37 +/- 2.93   0.035% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  15.85 +/- 1.69   0.005% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.29 +/- 1.95   0.005% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  18.97 +/- 1.85   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.39 +/- 2.49   0.002% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  18.88 +/- 1.41   0.001% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.89, support = 6.29, residual support = 186.7:
    * O T HB3   LEU   73 - QD2   LEU   73   2.97 +/- 0.33  28.137% * 89.5683% (1.00  10.0 10.00   6.35 170.69) =  88.394%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.49 +/- 0.30  68.526% *  4.7126% (0.05  10.0 10.00   5.98 316.40) =  11.327%  kept
          HB    VAL   42 - QD2   LEU   73   4.83 +/- 0.68   1.805% *  4.3809% (0.99   1.0  1.00   0.99   1.21) =   0.277%
          QB    LEU   98 - QD2   LEU   73   6.40 +/- 0.97   0.343% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   73   7.93 +/- 1.23   0.121% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   8.64 +/- 2.86   0.371% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   6.11 +/- 0.38   0.366% *  0.0157% (0.18   1.0  1.00   0.02  40.74) =   0.000%
          HG    LEU   98 - QD2   LEU   73   7.68 +/- 1.33   0.136% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   7.63 +/- 1.34   0.115% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.03 +/- 1.26   0.007% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  12.05 +/- 0.79   0.006% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  14.13 +/- 2.24   0.003% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  11.82 +/- 1.98   0.011% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.51 +/- 1.74   0.009% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  13.28 +/- 1.24   0.004% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  13.79 +/- 0.93   0.003% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  13.50 +/- 3.23   0.006% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  17.94 +/- 1.50   0.001% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.30 +/- 2.28   0.013% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  12.89 +/- 1.32   0.004% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  12.45 +/- 2.45   0.008% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.97 +/- 1.27   0.001% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.10 +/- 2.61   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.26 +/- 1.46   0.000% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.54 +/- 1.19   0.001% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.29 +/- 1.73   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.25 +/- 2.63   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.21 +/- 1.73   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.99 +/- 2.06   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.14 +/- 1.20   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.7:
    * O T QD1   LEU   73 - QD2   LEU   73   2.02 +/- 0.06  99.185% * 97.3141% (1.00  10.0 10.00   6.18 170.69) =  99.998%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   6.02 +/- 2.00   0.567% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU   73   7.81 +/- 1.39   0.062% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HG3   LYS+ 121   8.85 +/- 1.28   0.022% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.46 +/- 0.83   0.011% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   9.77 +/- 3.09   0.033% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   7.96 +/- 1.10   0.041% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.84 +/- 1.35   0.049% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.23 +/- 0.67   0.013% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.72 +/- 1.60   0.014% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  15.10 +/- 1.44   0.001% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.24 +/- 1.41   0.003% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  22.47 +/- 4.45   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.71 +/- 3.00   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 = 187.3:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.68 +/- 0.14  99.850% * 99.4757% (0.64  10.0 10.00   6.31 187.29) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.56 +/- 0.44   0.104% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.59 +/- 1.34   0.014% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  13.87 +/- 0.92   0.006% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.68 +/- 1.47   0.008% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  16.02 +/- 1.84   0.003% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.37 +/- 1.30   0.008% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.54 +/- 0.68   0.001% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.43 +/- 1.08   0.005% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.02 +/- 1.42   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 = 187.3:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.47 +/- 0.29  99.882% * 99.1206% (0.80  10.0 10.00   6.28 187.29) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   9.42 +/- 0.68   0.038% *  0.0915% (0.74   1.0  1.00   0.02   8.32) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.74 +/- 1.12   0.013% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.20 +/- 0.84   0.018% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  10.07 +/- 1.59   0.033% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.22 +/- 0.69   0.010% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  18.96 +/- 1.44   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  14.34 +/- 1.08   0.004% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.75 +/- 0.87   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.52 +/- 2.59   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.56, residual support = 183.5:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.56 +/- 0.09  75.457% * 92.2587% (0.80  10.0 10.00   5.57 187.29) =  97.544%  kept
          HB    VAL   75 - HA    LYS+  74   4.40 +/- 0.42  23.893% *  7.3328% (0.25   1.0  1.00   5.15  31.87) =   2.455%  kept
          QD1   LEU   67 - HA    LYS+  74  10.60 +/- 1.55   0.201% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    LYS+  74   9.38 +/- 0.66   0.263% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  10.94 +/- 0.74   0.099% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.97 +/- 1.20   0.041% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.95 +/- 0.80   0.023% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  13.91 +/- 1.17   0.024% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.39 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.3:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.78 +/- 0.59  99.841% * 99.2156% (0.80 10.00   5.91 187.29) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74  10.26 +/- 0.94   0.082% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  11.47 +/- 0.98   0.037% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  18.71 +/- 2.41   0.004% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.07 +/- 1.33   0.020% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.92 +/- 1.31   0.011% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.64 +/- 0.81   0.003% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  20.20 +/- 1.54   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.41 +/- 1.60   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.3:
    *   T QE    LYS+  74 - HA    LYS+  74   2.59 +/- 0.67  98.529% * 99.7560% (0.80 10.00   4.93 187.29) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   6.21 +/- 0.78   1.408% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  11.28 +/- 1.01   0.035% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.85 +/- 0.69   0.026% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.72 +/- 0.62   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 3 structures by 0.24 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.3:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.68 +/- 0.14  99.987% * 99.8966% (0.64  10.0 10.00   6.31 187.29) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  13.00 +/- 0.82   0.008% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.59 +/- 1.24   0.005% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.3:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.03  99.528% * 99.1206% (0.80  10.0 10.00   5.85 187.29) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.13 +/- 0.71   0.312% *  0.0915% (0.74   1.0  1.00   0.02   8.32) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.54 +/- 1.32   0.046% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.36 +/- 0.80   0.023% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  12.55 +/- 1.00   0.022% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  11.29 +/- 1.68   0.059% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.05 +/- 1.55   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  16.30 +/- 1.45   0.005% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.96 +/- 0.95   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.98 +/- 3.04   0.003% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.3:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.63 +/- 0.12  99.369% * 97.9320% (0.80  10.0 10.00   5.27 187.29) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  10.70 +/- 1.82   0.049% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.49 +/- 0.35   0.480% *  0.0302% (0.25   1.0  1.00   0.02  31.87) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.04 +/- 1.02   0.013% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   8.96 +/- 0.88   0.078% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.79 +/- 0.87   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.86 +/- 1.25   0.004% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.69 +/- 1.02   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 = 187.3:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.34 +/- 0.35  99.956% * 97.4681% (0.80  10.0 10.00   6.31 187.29) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  12.20 +/- 1.33   0.011% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74  10.51 +/- 0.97   0.020% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  19.23 +/- 2.93   0.001% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.17 +/- 1.14   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.85 +/- 0.94   0.006% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.56 +/- 1.49   0.005% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.20 +/- 1.69   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.19 +/- 1.33   0.000% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.3:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.11 +/- 0.53  97.090% * 99.7560% (0.80 10.00   4.62 187.29) =  99.999%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.27 +/- 0.95   2.808% *  0.0308% (0.25  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HB2   LYS+  74  11.70 +/- 1.25   0.063% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.34 +/- 0.98   0.035% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.45 +/- 0.96   0.004% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.3:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.47 +/- 0.29  99.885% * 99.7790% (0.80  10.0 10.00   6.28 187.29) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.41 +/- 0.52   0.013% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   9.18 +/- 1.56   0.056% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.37 +/- 1.06   0.011% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.00 +/- 1.72   0.034% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  18.96 +/- 1.44   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.3:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.03  98.635% * 99.3145% (0.80  10.0 10.00   5.85 187.29) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.39 +/- 0.55   0.120% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.25 +/- 1.11   0.324% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.43 +/- 2.08   0.046% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.66 +/- 1.51   0.787% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.75 +/- 1.16   0.006% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  16.31 +/- 1.96   0.005% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  14.77 +/- 2.04   0.012% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.31 +/- 0.78   0.023% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  18.28 +/- 1.24   0.002% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.84 +/- 1.36   0.008% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.32 +/- 1.49   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.05 +/- 1.55   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.17 +/- 2.62   0.017% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.31 +/- 1.79   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  21.34 +/- 2.09   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.61 +/- 1.57   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.43 +/- 1.65   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.45 +/- 2.92   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  19.96 +/- 2.09   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.21 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.861% * 99.3075% (1.00  10.0 10.00   4.54 187.29) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.57 +/- 0.74   0.128% *  0.0307% (0.31   1.0  1.00   0.02  31.87) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.53 +/- 1.92   0.003% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.59 +/- 0.81   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.62 +/- 0.98   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.51 +/- 0.82   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.59 +/- 1.16   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.42 +/- 1.68   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  12.62 +/- 2.38   0.001% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  13.59 +/- 2.41   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.52 +/- 1.43   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.08 +/- 2.72   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.22 +/- 0.96   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  15.93 +/- 1.83   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  16.96 +/- 2.73   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.32 +/- 1.33   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 5.53, residual support = 198.1:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.88 +/- 0.19  49.053% * 89.4618% (1.00  10.0 10.00   5.54 187.29) =  91.531%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.86 +/- 0.24  50.842% *  7.9861% (0.09  10.0 10.00   5.40 314.94) =   8.469%  kept
        T QD    LYS+  65 - HG2   LYS+  74  12.80 +/- 1.97   0.013% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.35 +/- 1.13   0.060% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.38 +/- 1.26   0.002% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.66 +/- 1.39   0.013% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.45 +/- 1.72   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  20.48 +/- 2.54   0.001% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.32 +/- 1.55   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.80 +/- 0.88   0.007% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.91 +/- 1.01   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  13.89 +/- 1.65   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.55 +/- 1.37   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.29 +/- 2.25   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.72 +/- 1.10   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.52 +/- 2.10   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  25.77 +/- 2.36   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.19 +/- 2.62   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.55 +/- 0.55  99.489% * 99.6238% (1.00  10.0 10.00   4.54 187.29) = 100.000%  kept
          HB2   PHE   72 - HG2   LYS+  74   7.57 +/- 1.17   0.392% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG2   LYS+  74   9.94 +/- 1.29   0.048% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.49 +/- 1.21   0.059% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  16.17 +/- 1.74   0.002% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.05 +/- 1.10   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.88 +/- 1.69   0.006% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.09 +/- 2.04   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.84 +/- 1.40   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  26.86 +/- 3.20   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.3:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.56 +/- 0.09  99.896% * 99.8966% (0.80  10.0 10.00   5.57 187.29) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.80 +/- 0.63   0.051% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.45 +/- 1.23   0.053% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.3:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.63 +/- 0.12  99.906% * 98.5261% (0.80  10.0 10.00   5.27 187.29) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.42 +/- 0.52   0.055% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  17.10 +/- 1.90   0.002% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.84 +/- 2.07   0.025% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.06 +/- 1.36   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.35 +/- 1.24   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  14.82 +/- 2.08   0.005% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.84 +/- 1.11   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.75 +/- 1.23   0.002% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.19 +/- 1.66   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.989% * 99.1206% (1.00  10.0 10.00   4.54 187.29) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74  10.02 +/- 1.07   0.004% *  0.0915% (0.92   1.0  1.00   0.02   8.32) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  11.44 +/- 1.42   0.002% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  10.53 +/- 1.75   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.55 +/- 1.35   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.97 +/- 0.82   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.52 +/- 1.43   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.90 +/- 1.03   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.64 +/- 0.96   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  22.98 +/- 3.02   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.83 +/- 0.12  99.831% * 99.2156% (1.00  10.0 10.00   4.97 187.29) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   9.31 +/- 1.09   0.111% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  12.15 +/- 2.00   0.034% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.74 +/- 1.12   0.015% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  20.95 +/- 2.82   0.002% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.45 +/- 1.34   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.78 +/- 0.92   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.56 +/- 1.68   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  21.67 +/- 2.09   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.3:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.89 +/- 0.48  99.311% * 99.7560% (1.00  10.0 10.00   4.00 187.29) = 100.000%  kept
          HB2   PHE   72 - HG3   LYS+  74   7.79 +/- 0.99   0.511% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+  74  10.02 +/- 1.49   0.119% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.87 +/- 1.17   0.057% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.01 +/- 0.94   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.3:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.78 +/- 0.59  99.947% * 99.6012% (0.80 10.00   5.91 187.29) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.58 +/- 1.37   0.026% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  18.71 +/- 2.41   0.004% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.99 +/- 1.77   0.022% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  20.95 +/- 1.20   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.47 +/- 1.60   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.3:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.34 +/- 0.35  99.793% * 98.0482% (0.80  10.0 10.00   6.31 187.29) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.11 +/- 1.21   0.014% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.51 +/- 0.99   0.081% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.72 +/- 0.49   0.028% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  14.80 +/- 1.42   0.003% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  19.23 +/- 2.93   0.001% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.49 +/- 1.53   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  15.75 +/- 2.09   0.003% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.32 +/- 0.91   0.041% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  13.46 +/- 1.75   0.005% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  16.42 +/- 2.64   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.79 +/- 2.29   0.007% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  13.58 +/- 2.40   0.013% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.35 +/- 1.36   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.05 +/- 2.32   0.001% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.43 +/- 1.78   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.52 +/- 0.94   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  16.61 +/- 1.84   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  23.11 +/- 1.49   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.01 +/- 1.15   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 0.14 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.842, support = 5.53, residual support = 192.9:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.88 +/- 0.19  25.809% * 90.7641% (1.00  10.0 10.00   5.54 187.29) =  82.970%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.40 +/- 0.16  70.748% *  6.7893% (0.07  10.0 10.00   5.45 220.62) =  17.013%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.24 +/- 2.28   2.349% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.017%
          QG2   THR   39 - QD    LYS+  38   6.17 +/- 1.03   0.742% *  0.0121% (0.13   1.0  1.00   0.02  28.84) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.82 +/- 3.53   0.159% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.93 +/- 1.78   0.111% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.70 +/- 1.06   0.024% *  0.0838% (0.92   1.0  1.00   0.02   8.32) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.69 +/- 1.63   0.038% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.55 +/- 1.51   0.006% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.46 +/- 1.40   0.008% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.10 +/- 1.09   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.97 +/- 0.95   0.003% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.32 +/- 1.55   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.82 +/- 2.97   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.48 +/- 2.54   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.64 +/- 1.79   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  25.77 +/- 2.36   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.09 +/- 1.93   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.09 +/- 1.68   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.55 +/- 1.65   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.83 +/- 0.12  94.940% * 99.2094% (1.00  10.0 10.00   4.97 187.29) =  99.999%  kept
          QD2   LEU   71 - QD    LYS+  38   9.99 +/- 1.96   3.175% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HD2   LYS+  74   6.49 +/- 1.01   1.377% *  0.0306% (0.31   1.0  1.00   0.02  31.87) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  10.48 +/- 1.70   0.078% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   7.87 +/- 0.71   0.250% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74   9.83 +/- 1.13   0.065% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  11.99 +/- 1.00   0.020% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  11.51 +/- 1.57   0.032% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.34 +/- 1.13   0.004% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  11.96 +/- 1.02   0.019% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.57 +/- 1.50   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.58 +/- 1.17   0.009% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  20.95 +/- 2.82   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.14 +/- 1.12   0.018% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.27 +/- 2.03   0.003% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.53 +/- 2.29   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.29 +/- 0.10  99.492% * 99.4851% (1.00  10.0 10.00   4.97 187.29) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   6.45 +/- 1.37   0.451% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74  10.29 +/- 1.17   0.018% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.94 +/- 1.70   0.008% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.03 +/- 1.40   0.013% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  17.82 +/- 2.31   0.001% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  14.84 +/- 2.78   0.016% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  17.81 +/- 1.35   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.55 +/- 2.15   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.48 +/- 2.35   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.3:
    *   T HA    LYS+  74 - QE    LYS+  74   2.59 +/- 0.67  99.829% * 99.8966% (0.80 10.00   4.93 187.29) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.33 +/- 0.88   0.101% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.55 +/- 1.02   0.070% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.3:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.11 +/- 0.53  99.387% * 99.4757% (0.80 10.00   4.62 187.29) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   9.37 +/- 0.54   0.178% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74   9.74 +/- 1.28   0.180% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  13.06 +/- 1.93   0.046% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.11 +/- 1.21   0.028% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  11.89 +/- 1.53   0.057% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.76 +/- 1.43   0.063% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  15.01 +/- 1.03   0.012% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  12.72 +/- 1.39   0.037% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  15.88 +/- 1.74   0.010% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.19 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.55 +/- 0.55  99.549% * 99.1206% (1.00  10.0 10.00   4.54 187.29) = 100.000%  kept
          HG13  ILE   19 - QE    LYS+  74   9.48 +/- 0.77   0.085% *  0.0915% (0.92   1.0  1.00   0.02   8.32) =   0.000%
          QB    ALA   91 - QE    LYS+  74   9.43 +/- 0.84   0.101% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.73 +/- 1.63   0.197% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.57 +/- 1.15   0.032% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  11.81 +/- 0.72   0.022% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  16.17 +/- 1.74   0.002% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  13.34 +/- 1.16   0.010% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.81 +/- 1.06   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.69 +/- 2.41   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.3:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.89 +/- 0.48  92.364% * 99.5285% (1.00  10.0 10.00   4.00 187.29) =  99.997%  kept
          HB    VAL   75 - QE    LYS+  74   5.57 +/- 1.22   7.102% *  0.0307% (0.31   1.0  1.00   0.02  31.87) =   0.002%
          QD1   LEU   67 - QE    LYS+  74   9.21 +/- 1.53   0.205% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.13 +/- 0.99   0.168% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.50 +/- 1.10   0.079% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.50 +/- 1.25   0.043% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  13.22 +/- 0.85   0.016% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.63 +/- 1.06   0.023% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.29 +/- 0.10  99.817% * 99.2156% (1.00  10.0 10.00   4.97 187.29) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   7.34 +/- 0.85   0.153% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.24 +/- 1.12   0.016% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.35 +/- 1.18   0.008% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  17.82 +/- 2.31   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.98 +/- 1.33   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.48 +/- 1.25   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  17.14 +/- 1.86   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  17.44 +/- 1.37   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.6:
    * O T HB    VAL   75 - HA    VAL   75   2.82 +/- 0.29  98.350% * 99.3939% (1.00  10.0 10.00   3.44  84.61) =  99.999%  kept
          HG3   LYS+  74 - HA    VAL   75   5.85 +/- 0.47   1.614% *  0.0307% (0.31   1.0  1.00   0.02  31.87) =   0.001%
        T QD1   ILE  119 - HA    VAL   75  15.18 +/- 1.34   0.006% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  13.16 +/- 0.73   0.012% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.93 +/- 1.53   0.012% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  15.05 +/- 1.01   0.005% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.72 +/- 0.97   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T QG1   VAL   75 - HA    VAL   75   2.72 +/- 0.16  99.996% * 99.9055% (1.00  10.0 10.00   4.00  84.61) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  15.10 +/- 1.49   0.004% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T QG2   VAL   75 - HA    VAL   75   2.32 +/- 0.35  99.977% * 99.9036% (1.00  10.0 10.00   4.00  84.61) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.51 +/- 1.18   0.023% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.6:
    * O T HA    VAL   75 - HB    VAL   75   2.82 +/- 0.29  99.975% * 99.7003% (1.00  10.0 10.00   3.44  84.61) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  17.21 +/- 1.45   0.003% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  15.69 +/- 1.46   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.14 +/- 1.12   0.014% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.45 +/- 0.89   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.6:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.61) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.63 +/- 1.82   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.6:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  99.978% * 99.0442% (1.00  10.0 10.00   3.31  84.61) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.18 +/- 1.12   0.022% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HA    VAL   75 - QG1   VAL   75   2.72 +/- 0.16  99.966% * 99.6578% (1.00  10.0 10.00   4.00  84.61) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.31 +/- 0.69   0.013% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.75 +/- 0.96   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.80 +/- 0.75   0.011% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.56 +/- 1.06   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.6:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.883% * 99.7607% (1.00  10.0 10.00   3.44  84.61) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.83 +/- 0.41   0.099% *  0.0308% (0.31   1.0  1.00   0.02  31.87) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  10.96 +/- 0.62   0.006% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.38 +/- 1.02   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.32 +/- 1.12   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.45 +/- 1.17   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.93 +/- 0.99   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   2.07 +/- 0.04  99.979% * 99.9036% (1.00  10.0 10.00   4.00  84.61) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   8.95 +/- 0.90   0.021% *  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   2.32 +/- 0.35  99.977% * 99.8572% (1.00  10.0 10.00   4.00  84.61) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  14.21 +/- 1.20   0.004% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  11.61 +/- 1.02   0.013% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  14.92 +/- 1.52   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.76 +/- 0.83   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.6:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  99.808% * 99.7607% (1.00  10.0 10.00   3.31  84.61) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.27 +/- 0.30   0.158% *  0.0308% (0.31   1.0  1.00   0.02  31.87) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.56 +/- 0.69   0.014% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.05 +/- 1.22   0.007% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.80 +/- 1.01   0.007% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.17 +/- 1.62   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.79 +/- 1.12   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T QG1   VAL   75 - QG2   VAL   75   2.07 +/- 0.04  99.997% * 99.9055% (1.00  10.0 10.00   4.00  84.61) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  12.23 +/- 1.54   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 36.4:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.87 +/- 0.17  96.267% * 99.1090% (1.00  10.0 10.00   2.92  36.44) =  99.998%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.76 +/- 0.63   1.919% *  0.0720% (0.73   1.0  1.00   0.02   2.95) =   0.001%
        T QE    LYS+  66 - HA    LEU   67   6.43 +/- 0.84   1.034% *  0.0362% (0.04   1.0 10.00   0.02  11.49) =   0.000%
          HB2   ASN   69 - HA    LEU   67   6.94 +/- 1.01   0.766% *  0.0159% (0.16   1.0  1.00   0.02   2.98) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.49 +/- 1.45   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.71 +/- 1.14   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  16.33 +/- 2.48   0.005% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.10 +/- 1.23   0.001% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.47 +/- 1.02   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.72 +/- 0.64   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.90 +/- 1.06   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.53 +/- 0.87   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.4:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.81 +/- 0.19  99.843% * 99.2676% (0.87  10.0 10.00   3.00  36.44) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  11.53 +/- 1.35   0.032% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  10.21 +/- 1.09   0.057% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  13.33 +/- 0.94   0.010% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.34 +/- 1.16   0.032% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.61 +/- 0.72   0.002% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.20 +/- 2.05   0.009% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.74 +/- 1.04   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.47 +/- 1.93   0.006% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  21.98 +/- 1.27   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.41 +/- 0.91   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.11 +/- 1.18   0.004% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.43 +/- 0.96   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.52 +/- 1.01   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  23.36 +/- 2.15   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  25.86 +/- 1.18   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 36.4:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.87 +/- 0.17  98.925% * 99.3094% (1.00  10.0 10.00   2.92  36.44) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.43 +/- 0.84   1.067% *  0.0515% (0.05   1.0 10.00   0.02  11.49) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  18.49 +/- 1.45   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  16.33 +/- 2.48   0.005% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.71 +/- 1.14   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.10 +/- 1.23   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.92, residual support = 36.4:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.872% * 98.9845% (0.87  10.0 10.00   2.92  36.44) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.54 +/- 1.63   0.108% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   9.24 +/- 2.60   0.015% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  13.89 +/- 1.52   0.001% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  11.16 +/- 1.39   0.002% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  14.01 +/- 3.37   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  15.84 +/- 1.20   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.37 +/- 1.68   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.23 +/- 1.54   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  15.22 +/- 1.08   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.21 +/- 1.21   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  22.10 +/- 1.10   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  18.69 +/- 2.75   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.90 +/- 1.05   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.34 +/- 1.01   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.88 +/- 1.88   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.37 +/- 2.48   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.51 +/- 1.03   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.74 +/- 1.46   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.37 +/- 1.47   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  22.40 +/- 2.37   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.46 +/- 2.17   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.16 +/- 1.44   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  23.78 +/- 1.43   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.4:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.81 +/- 0.19 100.000% * 99.7513% (0.87  10.0 10.00   3.00  36.44) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  21.98 +/- 1.27   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.92, residual support = 36.4:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  99.505% * 99.3726% (0.87  10.0 10.00   2.92  36.44) = 100.000%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.99 +/- 1.20   0.495% *  0.0722% (0.63   1.0  1.00   0.02   2.95) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  18.23 +/- 1.54   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.21 +/- 1.21   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  15.10 +/- 1.03   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  24.68 +/- 0.94   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   2.55 +/- 0.10  99.506% * 99.3000% (1.00  10.0 10.00   3.00  37.71) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.50 +/- 0.24   0.386% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   9.37 +/- 1.20   0.049% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.13 +/- 0.78   0.031% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  10.54 +/- 0.50   0.021% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.66 +/- 1.40   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.65 +/- 1.40   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  19.84 +/- 1.48   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  24.46 +/- 0.71   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.78 +/- 0.90   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  34.06 +/- 1.74   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.97 +/- 1.54   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T QG2   THR   77 - HA    THR   77   2.40 +/- 0.22  99.864% * 99.7982% (1.00  10.0 10.00   3.00  37.71) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.24 +/- 1.07   0.037% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   8.29 +/- 1.12   0.098% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.08 +/- 1.86   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.55 +/- 1.04   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  27.05 +/- 1.84   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.02 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   2.55 +/- 0.10  99.958% * 99.9104% (1.00  10.0 10.00   3.00  37.71) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.09 +/- 1.38   0.036% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  13.03 +/- 0.80   0.006% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.15 +/- 0.01  99.940% * 99.5496% (1.00  10.0 10.00   2.82  37.71) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   7.90 +/- 0.97   0.048% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  10.24 +/- 1.09   0.012% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  17.72 +/- 1.78   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.75 +/- 0.83   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.69 +/- 1.62   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - QG2   THR   77   2.40 +/- 0.22  99.754% * 99.9104% (1.00  10.0 10.00   3.00  37.71) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.31 +/- 1.25   0.222% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.86 +/- 0.70   0.024% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 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   2.15 +/- 0.01  99.742% * 99.3000% (1.00  10.0 10.00   2.82  37.71) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   6.99 +/- 0.48   0.094% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.31 +/- 0.62   0.100% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   8.63 +/- 0.57   0.027% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77   9.63 +/- 0.78   0.015% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.31 +/- 1.33   0.011% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.35 +/- 1.26   0.010% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.59 +/- 1.11   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.95 +/- 0.52   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.49 +/- 0.79   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  28.67 +/- 1.33   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  26.01 +/- 1.13   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.02, residual support = 37.5:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.89 +/- 0.18  98.014% * 99.6931% (1.00  10.0 10.00   3.02  37.48) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.94 +/- 0.69   1.914% *  0.0724% (0.73   1.0  1.00   0.02   2.95) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  10.23 +/- 0.93   0.069% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.17 +/- 1.73   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.60 +/- 1.48   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  20.86 +/- 1.77   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.84 +/- 0.68   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 37.5:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.74 +/- 0.18  99.916% * 99.8720% (1.00  10.0 10.00   2.31  37.48) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.48 +/- 1.60   0.058% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.44 +/- 1.05   0.026% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.79 +/- 1.31   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.32 +/- 1.48   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.02, residual support = 37.5:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.89 +/- 0.18  99.218% * 99.8154% (1.00  10.0 10.00   3.02  37.48) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   7.06 +/- 0.71   0.641% *  0.0486% (0.49   1.0  1.00   0.02   4.81) =   0.000%
          HA    THR   23 - HB2   ASP-  78  10.46 +/- 1.60   0.073% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  10.89 +/- 1.91   0.067% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  25.44 +/- 1.15   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.47, residual support = 37.5:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.985% * 99.8720% (1.00  10.0 10.00   2.47  37.48) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   9.42 +/- 1.84   0.012% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.49 +/- 1.16   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.41 +/- 1.21   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.37 +/- 1.62   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 37.5:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.74 +/- 0.18  99.612% * 99.8154% (1.00  10.0 10.00   2.31  37.48) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   7.48 +/- 0.57   0.319% *  0.0486% (0.49   1.0  1.00   0.02   4.81) =   0.000%
          HA    THR   23 - HB3   ASP-  78  10.75 +/- 1.24   0.036% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  11.27 +/- 1.69   0.033% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  25.02 +/- 1.08   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.47, residual support = 37.5:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.762% * 99.6931% (1.00  10.0 10.00   2.47  37.48) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.21 +/- 0.71   0.234% *  0.0724% (0.73   1.0  1.00   0.02   2.95) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  12.27 +/- 1.60   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  19.00 +/- 1.62   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  19.31 +/- 2.15   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.54 +/- 1.58   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.09 +/- 0.96   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 = 4.13, residual support = 54.1:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.80 +/- 0.22  99.971% * 98.4729% (1.00  10.0 10.00   4.13  54.09) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  13.17 +/- 2.28   0.018% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  15.28 +/- 1.89   0.006% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.86 +/- 2.61   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  27.97 +/- 1.67   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.67 +/- 1.65   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  29.68 +/- 2.08   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.1:
    * O T QG    GLU-  79 - HA    GLU-  79   2.55 +/- 0.25  99.999% * 99.7507% (1.00  10.0 10.00   3.48  54.09) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  21.11 +/- 2.31   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.13 +/- 0.82   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  23.78 +/- 1.16   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  29.06 +/- 1.42   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.16 +/- 1.50   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 54.1:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.80 +/- 0.22  99.630% * 99.4064% (1.00  10.0 10.00   4.13  54.09) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.35 +/- 0.45   0.333% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.34 +/- 0.84   0.017% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  12.62 +/- 0.65   0.014% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  15.87 +/- 1.34   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.09 +/- 1.78   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  22.33 +/- 1.59   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.47 +/- 1.11   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  31.07 +/- 2.04   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 54.1:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.34 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.30  54.09) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  19.43 +/- 2.17   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.30 +/- 0.94   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.59 +/- 1.47   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.81 +/- 1.71   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.54 +/- 1.44   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.1:
    * O T HA    GLU-  79 - QG    GLU-  79   2.55 +/- 0.25  99.861% * 99.4064% (1.00  10.0 10.00   3.48  54.09) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.29 +/- 0.47   0.112% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.38 +/- 1.10   0.011% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.21 +/- 0.50   0.010% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  15.40 +/- 1.49   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.65 +/- 2.16   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.96 +/- 1.59   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.25 +/- 1.25   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  27.25 +/- 1.93   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 54.1:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.34 +/- 0.10  99.966% * 99.5443% (1.00  10.0 10.00   3.30  54.09) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  10.36 +/- 2.14   0.029% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  14.75 +/- 1.87   0.002% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.16 +/- 2.52   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.37 +/- 1.84   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  23.05 +/- 1.93   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  24.74 +/- 1.90   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.64, residual support = 81.1:
    *   T QD1   LEU   80 - HA    LEU   80   2.42 +/- 0.39  99.980% * 98.6414% (0.65 10.00   5.64  81.14) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  16.06 +/- 3.15   0.003% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  12.49 +/- 2.46   0.013% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  15.55 +/- 2.62   0.003% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  19.82 +/- 1.85   0.001% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  18.12 +/- 1.97   0.001% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 81.1:
    * O   HA    LEU   80 - HB2   LEU   80   2.92 +/- 0.10  93.694% * 99.6992% (1.00  10.0   5.29  81.14) =  99.995%  kept
          HA    THR   23 - HB2   LEU   80   6.71 +/- 2.67   3.088% *  0.0798% (0.80   1.0   0.02   1.27) =   0.003%
          HB    THR   23 - HB2   LEU   80   6.96 +/- 2.24   2.256% *  0.0962% (0.97   1.0   0.02   1.27) =   0.002%
          HA    ASP-  78 - HB2   LEU   80   6.36 +/- 0.33   0.961% *  0.0485% (0.49   1.0   0.02   4.81) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  23.27 +/- 3.85   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.06, residual support = 81.1:
    * O T QD1   LEU   80 - HB2   LEU   80   2.91 +/- 0.43  99.882% * 97.5236% (0.65  10.0 10.00   5.06  81.14) = 100.000%  kept
        T QG2   VAL   41 - HB2   LEU   80  14.06 +/- 2.77   0.016% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  14.49 +/- 3.48   0.019% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80  11.07 +/- 2.59   0.076% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  18.16 +/- 2.49   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  16.49 +/- 2.76   0.005% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.642, support = 5.54, residual support = 79.5:
    *   T HA    LEU   80 - QD1   LEU   80   2.42 +/- 0.39  64.953% * 92.6935% (0.65 10.00   5.64  81.14) =  97.984%  kept
          HA    THR   23 - QD1   LEU   80   5.73 +/- 4.02  22.518% *  4.2955% (0.52  1.00   1.16   1.27) =   1.574%  kept
          HB    THR   23 - QD1   LEU   80   5.45 +/- 3.51  12.324% *  2.2034% (0.62  1.00   0.49   1.27) =   0.442%
          HA    ASP-  78 - QD1   LEU   80   6.89 +/- 0.54   0.151% *  0.0451% (0.31  1.00   0.02   4.81) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.76 +/- 0.88   0.040% *  0.0406% (0.28  1.00   0.02   3.78) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  16.06 +/- 3.15   0.001% *  0.5313% (0.37 10.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  11.71 +/- 1.52   0.009% *  0.0425% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  13.14 +/- 1.47   0.004% *  0.0513% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  17.25 +/- 1.41   0.001% *  0.0259% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  21.10 +/- 3.89   0.000% *  0.0708% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 110.1:
    * O T QB    LYS+  81 - HA    LYS+  81   2.43 +/- 0.09  99.960% * 97.5498% (1.00  10.0 10.00   4.97 110.14) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.76 +/- 1.13   0.031% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.32 +/- 1.76   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.91 +/- 2.35   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.75 +/- 2.29   0.005% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  18.99 +/- 1.84   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.86 +/- 1.48   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  22.63 +/- 2.15   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  31.73 +/- 1.59   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  19.95 +/- 2.27   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  24.89 +/- 2.63   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  26.23 +/- 1.92   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  31.59 +/- 2.77   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  25.36 +/- 1.32   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  31.54 +/- 1.86   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 110.1:
    * O T QG    LYS+  81 - HA    LYS+  81   2.30 +/- 0.29  99.998% * 98.1658% (1.00  10.0 10.00   5.26 110.14) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  22.87 +/- 2.40   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  25.29 +/- 2.49   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  15.45 +/- 1.19   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  23.57 +/- 1.92   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.1:
    *   T QD    LYS+  81 - HA    LYS+  81   3.37 +/- 0.61  99.984% * 99.7569% (1.00 10.00   3.44 110.14) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  16.62 +/- 2.01   0.014% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  24.75 +/- 1.07   0.001% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  28.51 +/- 2.47   0.000% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.1:
    *   T QE    LYS+  81 - HA    LYS+  81   3.03 +/- 0.53  99.921% * 99.9825% (1.00 10.00   3.44 110.14) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.26 +/- 2.33   0.079% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 110.1:
    * O T HA    LYS+  81 - QB    LYS+  81   2.43 +/- 0.09  99.873% * 98.7606% (1.00  10.0 10.00   4.97 110.14) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.58 +/- 0.28   0.113% *  0.0733% (0.07   1.0 10.00   0.02   1.76) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  19.24 +/- 1.33   0.000% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  11.68 +/- 1.19   0.010% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.91 +/- 2.35   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  17.09 +/- 3.39   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  23.82 +/- 1.75   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  28.82 +/- 2.96   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  21.83 +/- 1.18   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  34.19 +/- 1.52   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  25.54 +/- 1.50   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  28.57 +/- 1.05   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  24.67 +/- 1.38   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.04 +/- 1.31   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 110.1:
    * O T QG    LYS+  81 - QB    LYS+  81   2.07 +/- 0.02  99.982% * 97.8497% (1.00  10.0 10.00   5.29 110.14) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  22.41 +/- 2.24   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  17.14 +/- 2.30   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  16.66 +/- 1.40   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  23.49 +/- 2.86   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52   9.76 +/- 1.15   0.014% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  15.57 +/- 1.05   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  14.16 +/- 2.08   0.003% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.48 +/- 2.00   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  23.21 +/- 1.83   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 110.1:
    * O T QD    LYS+  81 - QB    LYS+  81   2.11 +/- 0.13  99.998% * 99.6151% (1.00  10.0 10.00   3.74 110.14) = 100.000%  kept
        T QD    LYS+  81 - HB3   PRO   52  17.66 +/- 2.05   0.000% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QB    LYS+  81  16.72 +/- 2.03   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.01 +/- 1.34   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.43 +/- 1.07   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  27.16 +/- 2.53   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.24 +/- 1.26   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  23.67 +/- 1.91   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 = 110.1:
    *     QE    LYS+  81 - QB    LYS+  81   2.96 +/- 0.44  99.815% * 99.8347% (1.00   3.74 110.14) = 100.000%  kept
          HB3   TRP   49 - HB3   PRO   52   9.18 +/- 0.89   0.164% *  0.0107% (0.02   0.02   2.33) =   0.000%
          HB3   TRP   49 - QB    LYS+  81  14.25 +/- 2.36   0.014% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  16.13 +/- 2.26   0.007% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 110.1:
    * O T HA    LYS+  81 - QG    LYS+  81   2.30 +/- 0.29  99.829% * 98.8267% (1.00  10.0 10.00   5.26 110.14) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.00 +/- 0.64   0.111% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.38 +/- 0.55   0.030% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106   9.84 +/- 0.88   0.024% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  22.87 +/- 2.40   0.000% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.89 +/- 1.47   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  25.29 +/- 2.49   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  17.50 +/- 3.13   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  18.05 +/- 2.14   0.001% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.92 +/- 1.69   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  25.93 +/- 3.06   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  29.04 +/- 2.67   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  16.96 +/- 1.44   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  20.49 +/- 2.54   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.69 +/- 1.38   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  23.22 +/- 1.71   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.67 +/- 2.38   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  28.00 +/- 1.85   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  33.64 +/- 1.34   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.89 +/- 2.09   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  27.64 +/- 1.09   0.000% *  0.0152% (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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.836, support = 5.37, residual support = 119.6:
    * O T QB    LYS+  81 - QG    LYS+  81   2.07 +/- 0.02  48.354% * 57.8388% (1.00  10.0 10.00   5.29 110.14) =  73.247%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.31 +/- 0.11  26.324% * 26.7248% (0.46  10.0 10.00   5.68 149.94) =  18.425%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.33 +/- 0.13  25.040% * 12.6979% (0.22  10.0 10.00   5.32 135.77) =   8.327%  kept
          HB3   GLN   30 - HG2   LYS+  33   6.10 +/- 0.92   0.110% *  0.0104% (0.18   1.0  1.00   0.02   0.28) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.25 +/- 0.57   0.080% *  0.0114% (0.20   1.0  1.00   0.02  21.80) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.69 +/- 1.44   0.079% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.90 +/- 1.24   0.006% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  18.72 +/- 1.62   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.10 +/- 1.27   0.003% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.36 +/- 1.88   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.04 +/- 2.25   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  17.14 +/- 2.30   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.04 +/- 1.22   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.94 +/- 1.98   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.66 +/- 1.79   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.49 +/- 2.86   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.04 +/- 1.26   0.001% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  22.41 +/- 2.24   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  16.66 +/- 1.40   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.81 +/- 2.19   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.85 +/- 1.38   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.34 +/- 1.47   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.90 +/- 2.40   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.56 +/- 1.31   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.67 +/- 1.94   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.06 +/- 3.12   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  24.24 +/- 2.42   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  25.26 +/- 1.72   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  20.02 +/- 1.49   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  16.28 +/- 2.31   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.90 +/- 1.49   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.85 +/- 1.53   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.55 +/- 1.71   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  29.35 +/- 1.28   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.48 +/- 2.00   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.18 +/- 1.91   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  29.59 +/- 2.70   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.39 +/- 1.40   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.28 +/- 1.52   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.37 +/- 2.18   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.98 +/- 3.92   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.83 +/- 1.42   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.17 +/- 1.74   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  29.47 +/- 1.72   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  27.16 +/- 2.02   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 110.1:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.02  99.968% * 98.8994% (1.00  10.0 10.00   4.12 110.14) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.23 +/- 1.29   0.024% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.56 +/- 0.70   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.70 +/- 1.88   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  16.60 +/- 1.93   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.89 +/- 1.22   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.72 +/- 2.06   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  25.13 +/- 2.35   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  23.27 +/- 2.03   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.49 +/- 1.11   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  27.18 +/- 2.31   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.26 +/- 1.99   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 = 110.1:
    * O   QE    LYS+  81 - QG    LYS+  81   2.12 +/- 0.11  99.984% * 99.9005% (1.00  10.0   4.12 110.14) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  12.93 +/- 2.79   0.015% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  25.10 +/- 2.45   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  22.24 +/- 2.14   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.38 +/- 2.55   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  31.67 +/- 1.33   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.1:
    *   T HA    LYS+  81 - QD    LYS+  81   3.37 +/- 0.61  99.985% * 99.7133% (1.00 10.00   3.44 110.14) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  18.75 +/- 1.75   0.007% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  18.91 +/- 3.01   0.007% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  30.54 +/- 2.51   0.000% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  24.15 +/- 1.38   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  34.84 +/- 0.97   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  29.08 +/- 0.93   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 110.1:
    * O T QB    LYS+  81 - QD    LYS+  81   2.11 +/- 0.13  99.980% * 98.9997% (1.00  10.0 10.00   3.74 110.14) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   9.86 +/- 1.41   0.018% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  17.66 +/- 2.05   0.000% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  14.45 +/- 1.78   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  18.42 +/- 1.99   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  19.51 +/- 1.56   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  20.73 +/- 1.33   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.48 +/- 2.15   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.52 +/- 2.16   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  25.20 +/- 2.43   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  26.31 +/- 1.53   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  30.87 +/- 1.28   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  24.48 +/- 1.79   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  31.08 +/- 2.55   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  30.69 +/- 1.31   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 110.1:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.02  99.999% * 98.1658% (1.00  10.0 10.00   4.12 110.14) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  23.27 +/- 2.03   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  25.13 +/- 2.35   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  16.08 +/- 1.21   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  23.32 +/- 1.53   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 = 110.1:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  99.993% * 99.9825% (1.00  10.0   3.00 110.14) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  13.11 +/- 2.76   0.007% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.1:
    *   T HA    LYS+  81 - QE    LYS+  81   3.03 +/- 0.53  99.989% * 99.7133% (1.00 10.00   3.44 110.14) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.44 +/- 1.83   0.006% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  18.86 +/- 3.05   0.003% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  30.47 +/- 2.50   0.000% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  22.85 +/- 1.70   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  33.80 +/- 1.31   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  28.22 +/- 1.31   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 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   2.75 +/- 0.13  99.225% * 97.1708% (0.95  10.0 10.00   2.96  34.83) =  99.999%  kept
        T HB2   SER   82 - HA    GLU-  25  11.51 +/- 3.75   0.069% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.80 +/- 0.51   0.508% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.15 +/- 0.47   0.157% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  14.76 +/- 2.30   0.007% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.75 +/- 0.57   0.018% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.26 +/- 1.27   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.87 +/- 0.74   0.007% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.74 +/- 0.57   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  19.87 +/- 3.45   0.001% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.52 +/- 0.33   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.19 +/- 1.78   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  28.27 +/- 1.97   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.69 +/- 2.25   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  22.86 +/- 1.23   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  24.01 +/- 3.81   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  26.37 +/- 3.25   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.58 +/- 1.25   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  30.02 +/- 2.06   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  28.86 +/- 1.18   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.01 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   2.91 +/- 0.15  99.737% * 98.8194% (1.00  10.0 10.00   2.00  34.83) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25  11.04 +/- 3.37   0.111% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.43 +/- 0.21   0.049% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.48 +/- 0.37   0.089% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  19.37 +/- 0.92   0.001% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.04 +/- 2.21   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.93 +/- 1.02   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  17.89 +/- 2.03   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.13 +/- 0.96   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  21.60 +/- 2.99   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  22.62 +/- 0.82   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  22.57 +/- 1.96   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  28.36 +/- 2.43   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  28.40 +/- 2.92   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  31.35 +/- 2.15   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  26.72 +/- 2.35   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.04 +/- 1.40   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.04 +/- 1.10   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HA    SER   82 - HB2   SER   82   2.75 +/- 0.13  99.831% * 97.8439% (0.95  10.0 10.00   2.96  34.83) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  11.51 +/- 3.75   0.069% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  14.76 +/- 2.30   0.007% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.90 +/- 0.58   0.054% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.33 +/- 0.78   0.024% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.26 +/- 1.27   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.74 +/- 0.57   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.25 +/- 0.70   0.009% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  28.27 +/- 1.97   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  18.15 +/- 1.94   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.18 +/- 1.84   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.81 +/- 1.11   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.84 +/- 1.17   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.94 +/- 1.06   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.48 +/- 1.23   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 34.8:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.191% * 96.7159% (0.95  10.0 10.00   2.34  34.83) = 100.000%  kept
          HA    ILE   89 - HA    SER   48  10.70 +/- 2.97   0.365% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    VAL   70   4.82 +/- 0.99   0.393% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.42 +/- 1.71   0.014% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   9.00 +/- 0.52   0.006% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.42 +/- 1.60   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  15.21 +/- 2.36   0.001% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.45 +/- 0.78   0.027% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  11.88 +/- 0.36   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  20.99 +/- 2.28   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.14 +/- 0.97   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  19.64 +/- 3.42   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  26.19 +/- 2.38   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.54 +/- 1.26   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.85 +/- 1.11   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.61 +/- 0.96   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  26.77 +/- 2.82   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  26.63 +/- 3.38   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.09 +/- 1.04   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  23.72 +/- 1.34   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  29.67 +/- 2.47   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  27.59 +/- 2.38   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  27.28 +/- 1.14   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.63 +/- 2.60   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  25.42 +/- 0.76   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.55 +/- 1.07   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.80 +/- 1.19   0.000% *  0.0365% (0.36   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   2.91 +/- 0.15  99.887% * 99.1601% (1.00  10.0 10.00   2.00  34.83) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82  11.04 +/- 3.37   0.111% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  20.49 +/- 1.38   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.87 +/- 1.70   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.02 +/- 1.32   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.34, 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   2.34  34.83) = 100.000%  kept
        T HA    SER   48 - HB3   SER   82  15.21 +/- 2.36   0.001% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82  10.05 +/- 0.38   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  19.79 +/- 2.10   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  17.25 +/- 3.59   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  26.19 +/- 2.38   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  21.46 +/- 4.04   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  21.04 +/- 1.56   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  23.79 +/- 3.50   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  29.30 +/- 2.45   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 = 87.4:
    * O T HB    VAL   83 - HA    VAL   83   2.99 +/- 0.07  99.983% * 96.5761% (0.90  10.0 10.00   3.97  87.35) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.43 +/- 1.21   0.006% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  17.70 +/- 1.09   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.61 +/- 1.22   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  25.30 +/- 2.89   0.000% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.64 +/- 0.89   0.004% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  21.38 +/- 3.07   0.001% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  25.56 +/- 2.89   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  22.98 +/- 3.33   0.001% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  20.21 +/- 2.35   0.001% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.74 +/- 2.13   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.64 +/- 1.98   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 87.4:
    * O T QG1   VAL   83 - HA    VAL   83   2.36 +/- 0.24  98.733% * 99.5865% (0.87  10.0 10.00   4.24  87.35) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   6.25 +/- 1.14   0.764% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   5.95 +/- 0.48   0.488% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  12.08 +/- 1.77   0.012% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.30 +/- 1.99   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  20.53 +/- 2.56   0.000% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  19.69 +/- 2.04   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 87.4:
    * O T QG2   VAL   83 - HA    VAL   83   2.43 +/- 0.21  99.103% * 99.8380% (1.00  10.0 10.00   4.45  87.35) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   5.70 +/- 0.89   0.888% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83  12.83 +/- 2.52   0.008% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.4:
    * O T HA    VAL   83 - HB    VAL   83   2.99 +/- 0.07  99.992% * 97.8171% (0.90  10.0 10.00   3.97  87.35) = 100.000%  kept
        T HD2   PRO   58 - HB    VAL   83  21.10 +/- 0.98   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB    VAL   83  23.45 +/- 2.85   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  15.03 +/- 0.95   0.007% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  24.93 +/- 2.39   0.000% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.3:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  93.850% * 99.5865% (0.78  10.0 10.00   4.29  87.35) =  99.994%  kept
          QD2   LEU   80 - HB    VAL   83   4.33 +/- 1.21   5.631% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.006%
          QG2   ILE   89 - HB    VAL   83   5.22 +/- 0.45   0.511% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83  10.89 +/- 1.79   0.008% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.97 +/- 1.99   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  18.59 +/- 2.09   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  20.06 +/- 2.45   0.000% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.52, residual support = 87.4:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.01  99.693% * 99.8380% (0.90  10.0 10.00   4.52  87.35) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   5.97 +/- 0.82   0.302% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83  12.22 +/- 2.48   0.005% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 87.4:
    * O T HA    VAL   83 - QG1   VAL   83   2.36 +/- 0.24  99.993% * 99.7372% (0.87  10.0 10.00   4.24  87.35) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  13.69 +/- 1.21   0.006% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.49 +/- 1.21   0.001% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  18.49 +/- 2.58   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  19.83 +/- 2.22   0.000% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.4:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.988% * 99.3915% (0.78  10.0 10.00   4.29  87.35) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.13 +/- 1.03   0.006% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.05 +/- 1.06   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.66 +/- 1.28   0.002% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  15.14 +/- 2.09   0.001% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  17.22 +/- 2.58   0.001% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.07 +/- 1.21   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  19.77 +/- 2.59   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.41 +/- 2.54   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.37 +/- 2.74   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  23.67 +/- 1.99   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  24.37 +/- 1.89   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.81, residual support = 87.3:
    * O T QG2   VAL   83 - QG1   VAL   83   2.06 +/- 0.05  97.879% * 99.0399% (0.87  10.0 10.00   4.81  87.35) =  99.981%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.42 +/- 1.20   2.091% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU   31 - QG1   VAL   83   9.30 +/- 2.29   0.030% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 87.4:
    * O T HA    VAL   83 - QG2   VAL   83   2.43 +/- 0.21  99.986% * 99.7372% (1.00  10.0 10.00   4.45  87.35) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  12.13 +/- 0.90   0.012% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  16.94 +/- 0.96   0.001% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  18.29 +/- 2.35   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  19.74 +/- 1.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.52, residual support = 87.4:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.01  99.982% * 99.3915% (0.90  10.0 10.00   4.52  87.35) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.56 +/- 1.10   0.009% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  12.86 +/- 0.94   0.002% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.76 +/- 0.87   0.004% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  17.29 +/- 2.78   0.001% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  19.04 +/- 2.37   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  18.33 +/- 1.04   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  16.63 +/- 2.39   0.001% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  19.59 +/- 2.26   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  15.68 +/- 1.63   0.001% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.40 +/- 1.77   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.13 +/- 1.68   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 = 0.862, support = 4.77, residual support = 86.6:
    * O T QG1   VAL   83 - QG2   VAL   83   2.06 +/- 0.05  87.618% * 91.9781% (0.87  10.0 10.00   4.81  87.35) =  99.143%  kept
        T QG2   ILE   89 - QG2   VAL   83   3.44 +/- 0.67   9.054% *  7.6664% (0.25   1.0 10.00   0.58   0.02) =   0.854%  kept
          QD2   LEU   80 - QG2   VAL   83   4.71 +/- 1.33   3.293% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - QG2   VAL   83   8.50 +/- 1.45   0.031% *  0.0436% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.35 +/- 1.63   0.003% *  0.0436% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  14.44 +/- 1.74   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  15.43 +/- 2.01   0.001% *  0.1023% (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 = 2.97, residual support = 18.5:
    * O T QB    ALA   84 - HA    ALA   84   2.13 +/- 0.01  99.820% * 99.1332% (0.93  10.0 10.00   2.97  18.54) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   6.53 +/- 0.92   0.175% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  13.85 +/- 0.70   0.001% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  13.91 +/- 0.77   0.001% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  19.22 +/- 2.95   0.000% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  15.45 +/- 1.24   0.001% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.08 +/- 2.52   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  19.83 +/- 2.51   0.000% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  20.73 +/- 1.26   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  19.22 +/- 2.30   0.000% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  19.21 +/- 0.87   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.26 +/- 1.50   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  23.13 +/- 2.11   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  26.12 +/- 2.94   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  25.02 +/- 1.22   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  26.93 +/- 2.01   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  29.75 +/- 2.26   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.97, residual support = 18.5:
    * O T HA    ALA   84 - QB    ALA   84   2.13 +/- 0.01  99.985% * 99.6067% (0.93  10.0 10.00   2.97  18.54) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  10.52 +/- 1.49   0.013% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  14.15 +/- 1.84   0.002% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  21.07 +/- 1.54   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  21.18 +/- 1.05   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.40 +/- 0.10  75.461% * 98.0072% (1.00  10.0 10.00   2.26  18.12) =  99.991%  kept
          HA    ALA   88 - HA    SER   85   3.05 +/- 0.55  24.482% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.009%
        T QB    SER   48 - HA    SER   85  10.85 +/- 2.42   0.045% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.65 +/- 1.27   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  19.40 +/- 2.09   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  13.86 +/- 2.77   0.009% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  14.75 +/- 1.68   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  25.52 +/- 2.04   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  30.51 +/- 0.79   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  31.87 +/- 0.65   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  26.92 +/- 3.03   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  32.54 +/- 1.26   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  31.90 +/- 2.10   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.1:
    * O T HA    SER   85 - QB    SER   85   2.40 +/- 0.10  93.164% * 96.1605% (1.00  10.0 10.00   2.26  18.12) =  99.997%  kept
          HA    ASP-  86 - QB    SER   85   4.08 +/- 0.19   4.327% *  0.0361% (0.38   1.0  1.00   0.02  13.44) =   0.002%
          HB    THR   77 - QB    SER   48   6.29 +/- 1.64   2.142% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   85 - QB    SER   48  10.85 +/- 2.42   0.060% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.32 +/- 0.55   0.060% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.59 +/- 0.85   0.053% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.19 +/- 1.93   0.138% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.20 +/- 0.57   0.017% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.06 +/- 1.22   0.005% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  17.76 +/- 1.72   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  22.63 +/- 2.66   0.000% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  13.68 +/- 2.72   0.013% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.87 +/- 0.28   0.004% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  16.47 +/- 0.86   0.001% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.56 +/- 0.93   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  18.92 +/- 1.34   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.92 +/- 1.49   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.24 +/- 0.96   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.93 +/- 1.12   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  28.12 +/- 1.82   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  25.52 +/- 2.04   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.30 +/- 0.61   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.70 +/- 0.46   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.57 +/- 0.95   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.74 +/- 1.48   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  30.27 +/- 1.33   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.69 +/- 1.31   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  37.04 +/- 2.18   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  25.71 +/- 2.23   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  25.21 +/- 2.85   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  34.56 +/- 1.96   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  33.52 +/- 2.51   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.84 +/- 1.34   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  30.45 +/- 2.63   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.13 +/- 1.66   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.53 +/- 1.59   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 41.6:
    * O T HB2   ASP-  86 - HA    ASP-  86   2.95 +/- 0.11  99.977% * 99.6568% (1.00  10.0 10.00   3.45  41.58) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  17.03 +/- 3.08   0.005% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  14.20 +/- 1.63   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  23.84 +/- 2.20   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  25.84 +/- 3.15   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  27.33 +/- 1.04   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.6:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.76 +/- 0.16  99.987% * 98.9853% (1.00  10.0 10.00   2.00  41.58) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  13.20 +/- 0.69   0.009% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  17.63 +/- 3.00   0.002% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  28.31 +/- 1.51   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  20.65 +/- 2.89   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.67 +/- 2.67   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  21.34 +/- 2.38   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  30.48 +/- 3.20   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 41.6:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.95 +/- 0.11  97.656% * 99.5343% (1.00  10.0 10.00   3.45  41.58) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.70 +/- 0.37   2.136% *  0.0374% (0.38   1.0  1.00   0.02  13.44) =   0.001%
          HB    THR   77 - HB2   ASP-  86   8.52 +/- 0.75   0.197% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  14.73 +/- 1.43   0.008% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  20.18 +/- 3.31   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  23.70 +/- 3.27   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  31.11 +/- 1.93   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  36.03 +/- 2.31   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  38.70 +/- 2.56   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 41.6:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.997% * 99.6638% (1.00  10.0 10.00   2.82  41.58) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  10.64 +/- 0.92   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  15.36 +/- 3.03   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  18.92 +/- 2.52   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  18.96 +/- 2.59   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.86 +/- 2.63   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  25.70 +/- 1.74   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  28.44 +/- 2.89   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.6:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.76 +/- 0.16  98.773% * 99.5343% (1.00  10.0 10.00   2.00  41.58) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.08 +/- 0.39   1.047% *  0.0374% (0.38   1.0  1.00   0.02  13.44) =   0.000%
          HB    THR   77 - HB3   ASP-  86   9.31 +/- 1.26   0.174% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  15.14 +/- 1.31   0.004% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  20.08 +/- 3.57   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  23.61 +/- 3.55   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  31.43 +/- 1.68   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  36.30 +/- 2.29   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  38.91 +/- 2.75   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 = 2.82, residual support = 41.6:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.994% * 99.6568% (1.00  10.0 10.00   2.82  41.58) = 100.000%  kept
          HB2   ASP-  78 - HB3   ASP-  86  13.31 +/- 2.11   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  86  15.28 +/- 2.92   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  22.02 +/- 2.01   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  23.76 +/- 3.04   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  25.33 +/- 1.11   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HB2   TRP   87 - HA    TRP   87   2.22 +/- 0.01 100.000% * 99.9010% (1.00  10.0 10.00   4.31  74.01) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  21.52 +/- 1.06   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HB3   TRP   87 - HA    TRP   87   2.90 +/- 0.04  99.996% * 99.8563% (1.00  10.0 10.00   4.31  74.01) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.76 +/- 3.04   0.004% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  27.36 +/- 2.40   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HA    TRP   87 - HB2   TRP   87   2.22 +/- 0.01 100.000% * 99.8808% (1.00  10.0 10.00   4.31  74.01) = 100.000%  kept
          HA    PHE   59 - HB2   TRP   87  23.42 +/- 1.40   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   TRP   87  22.34 +/- 2.31   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  33.22 +/- 1.88   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.0:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  74.01) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.51 +/- 3.42   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  25.73 +/- 2.54   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HA    TRP   87 - HB3   TRP   87   2.90 +/- 0.04  99.999% * 99.3033% (1.00  10.0 10.00   4.31  74.01) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  22.16 +/- 1.33   0.001% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  22.03 +/- 2.06   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  32.03 +/- 1.66   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.0:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  74.01) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  18.86 +/- 1.00   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 = 2.12, residual support = 11.4:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.02  99.943% * 99.6403% (1.00  10.0 10.00   2.12  11.43) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.73 +/- 0.57   0.048% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.36 +/- 0.83   0.008% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  19.62 +/- 2.37   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  23.21 +/- 2.40   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  30.03 +/- 1.74   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  23.88 +/- 1.11   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  33.15 +/- 1.92   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.12, residual support = 11.4:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.02  99.131% * 97.3461% (1.00  10.0 10.00   2.12  11.43) =  99.995%  kept
        T HA    SER   48 - QB    ALA   88  11.62 +/- 3.02   0.548% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   85 - QB    ALA   88   5.65 +/- 0.44   0.310% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.53 +/- 0.41   0.007% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  12.18 +/- 1.34   0.004% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  23.95 +/- 2.08   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  21.23 +/- 0.56   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  21.66 +/- 1.97   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  25.44 +/- 0.90   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  26.10 +/- 1.62   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.17 +/- 0.43   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.4:
    * O T HB    ILE   89 - HA    ILE   89   3.02 +/- 0.00  99.885% * 99.6008% (0.80  10.0 10.00   5.44 214.37) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  13.35 +/- 0.94   0.015% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.15 +/- 0.99   0.086% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  13.49 +/- 0.98   0.014% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  24.61 +/- 1.34   0.000% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  24.81 +/- 1.40   0.000% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.36, residual support = 214.4:
    * O T QG2   ILE   89 - HA    ILE   89   2.40 +/- 0.07  99.836% * 99.9320% (1.00  10.0 10.00   6.36 214.37) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   7.82 +/- 1.10   0.163% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  20.55 +/- 1.04   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 214.4:
    * O T HG12  ILE   89 - HA    ILE   89   2.70 +/- 0.34  99.986% * 99.3078% (1.00  10.0 10.00   5.66 214.37) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  15.92 +/- 2.18   0.004% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  14.17 +/- 0.92   0.007% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  26.76 +/- 1.49   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.72 +/- 3.00   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  23.22 +/- 1.73   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  24.25 +/- 1.52   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  23.12 +/- 1.44   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.4:
    * O T HA    ILE   89 - HB    ILE   89   3.02 +/- 0.00  99.675% * 99.2091% (0.80  10.0 10.00   5.44 214.37) = 100.000%  kept
          HB3   SER   82 - HB    ILE   89   8.72 +/- 0.55   0.185% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HB    VAL   43  13.35 +/- 0.94   0.015% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.23 +/- 2.03   0.044% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.14 +/- 1.14   0.030% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.90 +/- 0.89   0.011% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  15.61 +/- 2.82   0.009% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  19.70 +/- 1.98   0.002% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.65 +/- 0.56   0.005% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.70 +/- 0.69   0.019% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  25.56 +/- 1.42   0.000% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  26.63 +/- 1.38   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  21.40 +/- 1.38   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  21.11 +/- 1.62   0.001% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  29.50 +/- 1.73   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.11 +/- 1.12   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 214.4:
    * O T QG2   ILE   89 - HB    ILE   89   2.12 +/- 0.01  99.161% * 99.5317% (0.80  10.0 10.00   5.84 214.37) = 100.000%  kept
          QG1   VAL   83 - HB    ILE   89   5.57 +/- 0.84   0.783% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB    VAL   43   9.21 +/- 0.76   0.016% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   9.46 +/- 2.33   0.031% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.41 +/- 0.87   0.009% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  20.28 +/- 1.61   0.000% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.15, residual support = 214.4:
    * O T HG12  ILE   89 - HB    ILE   89   2.69 +/- 0.22  99.847% * 98.9436% (0.80  10.0 10.00   5.15 214.37) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43  12.83 +/- 0.93   0.010% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.97 +/- 0.98   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.58 +/- 0.56   0.058% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  12.84 +/- 0.92   0.011% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  11.11 +/- 1.14   0.032% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.65 +/- 2.38   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.29 +/- 1.16   0.015% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  15.81 +/- 2.09   0.005% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  26.09 +/- 2.00   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.20 +/- 1.09   0.011% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  21.20 +/- 2.94   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  21.89 +/- 1.51   0.000% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  22.83 +/- 1.51   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  21.40 +/- 1.25   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.30 +/- 1.64   0.001% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.36, residual support = 214.4:
    * O T HA    ILE   89 - QG2   ILE   89   2.40 +/- 0.07  99.832% * 99.5272% (1.00  10.0 10.00   6.36 214.37) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   8.71 +/- 0.52   0.048% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.63 +/- 1.68   0.116% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  14.62 +/- 1.50   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  20.25 +/- 1.04   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  21.37 +/- 0.81   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.14 +/- 1.12   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  23.65 +/- 1.36   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 214.4:
    * O T HB    ILE   89 - QG2   ILE   89   2.12 +/- 0.01  99.942% * 99.0138% (0.80  10.0 10.00   5.84 214.37) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   9.21 +/- 0.76   0.017% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   8.41 +/- 0.73   0.030% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.06 +/- 1.03   0.011% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  18.79 +/- 1.18   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  19.04 +/- 1.31   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 214.4:
    * O T HG12  ILE   89 - QG2   ILE   89   3.06 +/- 0.18  99.818% * 99.3078% (1.00  10.0 10.00   6.08 214.37) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.48 +/- 0.76   0.135% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  13.01 +/- 1.95   0.026% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  20.60 +/- 1.30   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.83 +/- 2.47   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  17.14 +/- 1.25   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  17.98 +/- 1.15   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.90 +/- 1.10   0.004% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 214.4:
    * O T HA    ILE   89 - HG12  ILE   89   2.70 +/- 0.34  99.707% * 98.5945% (1.00  10.0 10.00   5.66 214.37) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   8.75 +/- 0.74   0.133% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89   9.80 +/- 1.17   0.101% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  10.83 +/- 1.28   0.037% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  13.92 +/- 2.01   0.010% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.82 +/- 1.64   0.004% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  19.46 +/- 2.22   0.001% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  26.76 +/- 1.49   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.40 +/- 2.40   0.001% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.26 +/- 1.46   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  26.14 +/- 1.63   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  27.26 +/- 1.42   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  22.00 +/- 1.83   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  30.67 +/- 2.08   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  27.87 +/- 3.52   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.20 +/- 1.18   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.65, support = 5.28, residual support = 205.8:
    * O T HB    ILE   89 - HG12  ILE   89   2.69 +/- 0.22  30.147% * 78.0851% (0.80  10.0 10.00   5.15 214.37) =  77.904%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.83 +/- 0.31  27.630% * 14.8429% (0.15  10.0  1.00   5.26 175.58) =  13.572%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.57 +/- 0.26  42.206% *  6.1021% (0.06  10.0 10.00   6.44 175.58) =   8.523%  kept
        T HB    VAL   43 - HG12  ILE   89  12.83 +/- 0.93   0.003% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.28 +/- 0.93   0.011% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.97 +/- 0.98   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.48 +/- 1.35   0.001% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.62 +/- 1.38   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  26.09 +/- 2.00   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  24.08 +/- 1.74   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.94 +/- 1.62   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  29.86 +/- 2.08   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 214.4:
    * O T QG2   ILE   89 - HG12  ILE   89   3.06 +/- 0.18  65.486% * 99.5013% (1.00  10.0 10.00   6.08 214.37) =  99.993%  kept
          QG1   VAL   83 - HG12  ILE   89   6.50 +/- 1.40   4.553% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG3   LYS+  99   3.62 +/- 0.64  29.958% *  0.0062% (0.06   1.0  1.00   0.02  17.08) =   0.003%
        T QG2   ILE   89 - HG3   LYS+  99  20.60 +/- 1.30   0.001% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  20.04 +/- 2.67   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  20.11 +/- 1.42   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 95.3:
    * O T HB2   GLN   90 - HA    GLN   90   2.53 +/- 0.30  99.976% * 98.5005% (0.78  10.0 10.00   3.96  95.31) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  10.87 +/- 1.44   0.024% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  24.52 +/- 1.70   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.43 +/- 1.92   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  28.27 +/- 1.08   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  31.91 +/- 2.19   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.3:
    * O T HB3   GLN   90 - HA    GLN   90   2.89 +/- 0.20  99.365% * 99.0333% (0.82  10.0 10.00   3.97  95.31) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   8.75 +/- 1.26   0.255% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   90   7.59 +/- 0.68   0.351% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  14.28 +/- 2.22   0.015% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  15.32 +/- 1.25   0.005% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  15.80 +/- 1.10   0.004% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  21.59 +/- 1.46   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.69 +/- 0.61   0.000% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.77 +/- 1.84   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  22.95 +/- 1.56   0.000% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  24.25 +/- 1.27   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  31.42 +/- 1.92   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  29.72 +/- 1.84   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 95.3:
    * O T QG    GLN   90 - HA    GLN   90   2.63 +/- 0.28  99.829% * 99.3855% (0.88  10.0 10.00   3.59  95.31) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   7.89 +/- 1.09   0.164% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  14.43 +/- 1.04   0.005% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  20.18 +/- 1.38   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.23 +/- 1.20   0.000% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.53 +/- 1.42   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  27.28 +/- 1.58   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  23.15 +/- 1.83   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  35.59 +/- 1.60   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.3:
    * O T HA    GLN   90 - HB2   GLN   90   2.53 +/- 0.30  99.959% * 98.8405% (0.78  10.0 10.00   3.96  95.31) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  10.87 +/- 1.44   0.024% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.01 +/- 1.92   0.008% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  16.75 +/- 2.11   0.005% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.27 +/- 1.40   0.002% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.56 +/- 2.61   0.001% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.19 +/- 1.25   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.76 +/- 0.46   0.000% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.27 +/- 1.16   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.34 +/- 1.59   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.3:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.956% * 96.7995% (0.67  10.0 10.00   3.99  95.31) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   7.54 +/- 0.49   0.017% *  0.0752% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.11 +/- 1.26   0.018% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   9.77 +/- 1.48   0.005% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  13.25 +/- 1.53   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  14.27 +/- 2.33   0.001% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.69 +/- 1.15   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  15.15 +/- 1.98   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.83 +/- 1.03   0.000% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.92 +/- 1.70   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  18.13 +/- 1.44   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  18.24 +/- 1.71   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  17.50 +/- 1.53   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.21 +/- 1.84   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  33.23 +/- 1.79   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  21.21 +/- 1.94   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  23.63 +/- 1.30   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.85 +/- 0.88   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  24.40 +/- 1.30   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  23.65 +/- 1.94   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  26.09 +/- 1.10   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  24.25 +/- 1.36   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.40 +/- 2.79   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.16 +/- 1.46   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.80 +/- 1.55   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  31.11 +/- 1.76   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 = 95.3:
    * O T QG    GLN   90 - HB2   GLN   90   2.35 +/- 0.09  99.855% * 96.7466% (0.72  10.0 10.00   3.92  95.31) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.39 +/- 1.55   0.011% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   8.11 +/- 1.71   0.121% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.51 +/- 1.19   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  15.35 +/- 1.76   0.002% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.05 +/- 0.92   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.95 +/- 1.02   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.22 +/- 1.51   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  20.45 +/- 1.94   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  28.46 +/- 2.39   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.46 +/- 1.79   0.002% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  25.26 +/- 1.70   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.86 +/- 1.30   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.06 +/- 1.54   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.20 +/- 1.26   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.09 +/- 1.36   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  37.20 +/- 1.66   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.84 +/- 1.63   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.3:
    * O T HA    GLN   90 - HB3   GLN   90   2.89 +/- 0.20  99.983% * 99.7400% (0.82  10.0 10.00   3.97  95.31) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  14.60 +/- 1.72   0.008% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  16.42 +/- 2.39   0.006% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  20.59 +/- 0.58   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.82 +/- 0.88   0.002% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.3:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  95.31) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.25 +/- 1.53   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  26.88 +/- 1.56   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.82 +/- 1.79   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  33.67 +/- 2.07   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  30.13 +/- 0.89   0.000% *  0.1203% (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 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 = 95.3:
    * O T QG    GLN   90 - HB3   GLN   90   2.43 +/- 0.10  99.785% * 99.3855% (0.75  10.0 10.00   3.92  95.31) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   7.68 +/- 1.69   0.213% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  15.99 +/- 0.97   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  21.85 +/- 1.33   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  21.69 +/- 1.46   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.12 +/- 1.35   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  29.01 +/- 1.70   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  25.51 +/- 1.67   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  37.34 +/- 1.79   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 = 95.3:
    * O T HA    GLN   90 - QG    GLN   90   2.63 +/- 0.28  99.987% * 99.7400% (0.88  10.0 10.00   3.59  95.31) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  14.17 +/- 1.53   0.007% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.30 +/- 2.02   0.003% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  18.67 +/- 0.59   0.001% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.61 +/- 0.92   0.002% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.3:
    * O T HB2   GLN   90 - QG    GLN   90   2.35 +/- 0.09  99.988% * 97.8434% (0.72  10.0 10.00   3.92  95.31) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.39 +/- 1.55   0.011% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  22.33 +/- 1.85   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  23.40 +/- 1.84   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  26.64 +/- 1.06   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  30.07 +/- 1.83   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.92, residual support = 95.3:
    * O T HB3   GLN   90 - QG    GLN   90   2.43 +/- 0.10  99.704% * 98.5216% (0.75  10.0 10.00   3.92  95.31) =  99.999%  kept
        T HB2   MET   92 - QG    GLN   90   7.74 +/- 1.31   0.160% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG    GLN   90   8.00 +/- 1.15   0.124% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  14.27 +/- 2.39   0.006% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  15.05 +/- 1.36   0.002% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  14.96 +/- 0.99   0.002% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  20.98 +/- 1.46   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.42 +/- 0.76   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  21.36 +/- 1.35   0.000% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.23 +/- 1.77   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  23.18 +/- 1.18   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  29.61 +/- 1.59   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  28.43 +/- 1.75   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 14.6:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  99.957% * 98.3255% (1.00  10.0 10.00   2.27  14.57) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   8.72 +/- 1.19   0.036% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  12.10 +/- 2.26   0.005% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  14.29 +/- 1.82   0.001% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  21.47 +/- 1.20   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.80 +/- 1.06   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  21.92 +/- 1.58   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.36 +/- 1.76   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.68 +/- 1.03   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.48 +/- 2.42   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 14.6:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  98.902% * 99.0540% (1.00  10.0 10.00   2.27  14.57) = 100.000%  kept
          HA    PRO   52 - QB    ALA   91   7.76 +/- 2.27   0.938% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.71 +/- 0.68   0.124% *  0.0096% (0.10   1.0  1.00   0.02   0.82) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.28 +/- 1.22   0.010% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91   9.55 +/- 1.36   0.018% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  12.18 +/- 1.27   0.004% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  14.29 +/- 1.82   0.001% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.38 +/- 1.15   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.47 +/- 1.20   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.24 +/- 0.86   0.001% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  19.28 +/- 1.26   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  19.94 +/- 1.78   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.22 +/- 1.18   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.19 +/- 1.20   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.07 +/- 1.89   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.93 +/- 0.08 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.33) = 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   3.83 +/- 0.17  78.076% * 99.2584% (0.73  10.0 10.00   5.40 132.33) =  99.990%  kept
          HG3   PRO   52 - HD2   PRO   93   5.97 +/- 2.54  20.326% *  0.0306% (0.22   1.0  1.00   0.02   0.46) =   0.008%
          HB    VAL  108 - HD2   PRO   93   8.70 +/- 2.01   1.277% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HD2   PRO   93  10.61 +/- 1.20   0.200% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.17 +/- 0.99   0.087% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.09 +/- 1.59   0.029% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  22.90 +/- 1.34   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.61 +/- 1.12   0.003% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.71 +/- 0.97   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.17 +/- 2.11   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  38.28 +/- 2.19   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.62 +/- 0.29  94.441% * 99.4388% (0.73  10.0 10.00   4.00 132.33) =  99.998%  kept
          HB3   PRO   52 - HD2   PRO   93   5.23 +/- 2.17   5.550% *  0.0307% (0.22   1.0  1.00   0.02   0.46) =   0.002%
          QB    LYS+  65 - HD2   PRO   93  16.99 +/- 1.49   0.002% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  17.07 +/- 1.71   0.002% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.92 +/- 1.01   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.19 +/- 1.02   0.001% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.81 +/- 1.73   0.001% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.86 +/- 0.84   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.80 +/- 1.92   0.001% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.26 +/- 1.80   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.563% * 98.6805% (0.65  10.0 10.00   4.00 132.33) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.57 +/- 2.22   0.398% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.20 +/- 1.17   0.034% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.01 +/- 1.02   0.004% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.34 +/- 1.37   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  22.16 +/- 2.08   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   3.84 +/- 0.08  99.993% * 99.8223% (0.90  10.0 10.00   5.31 132.33) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  19.38 +/- 1.65   0.007% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.89, support = 5.35, residual support = 130.8:
    * O T HB2   PRO   93 - HD3   PRO   93   4.00 +/- 0.21  61.941% * 95.4511% (0.90  10.0 10.00   5.40 132.33) =  98.830%  kept
          HG3   PRO   52 - HD3   PRO   93   5.14 +/- 2.53  36.723% *  1.8948% (0.28   1.0  1.00   1.29   0.46) =   1.163%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.65 +/- 1.29   0.442% *  0.8280% (0.78   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93   9.58 +/- 1.59   0.514% *  0.0764% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  11.61 +/- 1.29   0.157% *  0.0295% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  14.55 +/- 1.69   0.039% *  0.0638% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.11 +/- 1.32   0.030% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  18.85 +/- 1.86   0.008% *  0.1699% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  12.42 +/- 1.76   0.078% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  23.05 +/- 1.24   0.002% *  0.2654% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  18.00 +/- 1.53   0.009% *  0.0472% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.67 +/- 1.35   0.002% *  0.1474% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  21.42 +/- 2.72   0.004% *  0.0698% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  27.96 +/- 1.98   0.001% *  0.3582% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.78 +/- 1.07   0.003% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.20 +/- 1.80   0.013% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  17.29 +/- 1.28   0.011% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.09 +/- 1.37   0.016% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.89 +/- 2.43   0.005% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  38.09 +/- 2.15   0.000% *  0.3924% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.18 +/- 1.02   0.001% *  0.0465% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.26 +/- 2.00   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.886, support = 3.94, residual support = 130.0:
    * O T HG2   PRO   93 - HD3   PRO   93   2.57 +/- 0.30  81.473% * 90.6510% (0.90  10.0 10.00   4.00 132.33) =  98.235%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.45 +/- 2.12  15.486% *  8.5682% (0.28   1.0 10.00   0.61   0.46) =   1.765%  kept
          QB    LYS+  66 - HD3   PRO   68   4.90 +/- 0.62   2.265% *  0.0145% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   68   7.07 +/- 1.03   0.349% *  0.0135% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.60 +/- 1.93   0.116% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68   9.46 +/- 2.87   0.285% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  16.66 +/- 1.63   0.002% *  0.0757% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  16.91 +/- 1.75   0.001% *  0.0813% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  20.42 +/- 2.23   0.000% *  0.1613% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.63 +/- 1.26   0.014% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.19 +/- 1.07   0.003% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.49 +/- 0.97   0.001% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.55 +/- 0.91   0.001% *  0.0513% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.97 +/- 1.65   0.000% *  0.0726% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.42 +/- 0.65   0.000% *  0.0837% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  16.74 +/- 1.84   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.82 +/- 1.67   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.42 +/- 1.97   0.001% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  23.66 +/- 1.51   0.000% *  0.0498% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.93 +/- 1.68   0.000% *  0.0252% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.998% * 99.5607% (0.65  10.0 10.00   4.00 132.33) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  11.55 +/- 1.28   0.001% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.38 +/- 0.86   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  22.16 +/- 2.08   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  20.41 +/- 0.84   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.78 +/- 1.20   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.3:
    * O T HB2   PRO   93 - HA    PRO   93   2.58 +/- 0.21  99.418% * 99.2584% (1.00  10.0 10.00   5.98 132.33) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.86 +/- 2.10   0.419% *  0.0306% (0.31   1.0  1.00   0.02   0.46) =   0.000%
          HB    VAL  108 - HA    PRO   93   8.62 +/- 1.45   0.113% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  10.95 +/- 0.81   0.022% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  11.38 +/- 1.09   0.019% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  13.84 +/- 1.38   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  19.55 +/- 1.08   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.28 +/- 0.91   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.94 +/- 0.97   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.77 +/- 1.70   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  34.93 +/- 1.94   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.94 +/- 0.04  93.804% * 99.4388% (1.00  10.0 10.00   5.31 132.33) =  99.998%  kept
          HB3   PRO   52 - HA    PRO   93   7.14 +/- 1.75   6.030% *  0.0307% (0.31   1.0  1.00   0.02   0.46) =   0.002%
          QB    LYS+  66 - HA    PRO   93  14.93 +/- 1.45   0.038% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  14.74 +/- 1.16   0.040% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.02 +/- 0.85   0.022% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.77 +/- 0.80   0.024% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.45 +/- 1.33   0.014% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.97 +/- 0.42   0.008% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  18.11 +/- 1.70   0.012% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.00 +/- 1.10   0.008% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.93 +/- 0.08  99.485% * 99.7770% (0.73  10.0 10.00   5.31 132.33) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   9.93 +/- 1.40   0.482% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  15.14 +/- 0.97   0.033% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.32 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   3.84 +/- 0.08  86.687% * 98.6805% (0.90  10.0 10.00   5.31 132.33) =  99.984%  kept
          HB3   CYS   53 - HA    PRO   93   5.96 +/- 1.07   9.757% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.012%
          QB    PHE   55 - HA    PRO   93   8.02 +/- 1.30   2.152% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93   8.30 +/- 1.26   1.314% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  12.53 +/- 0.95   0.084% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  19.38 +/- 1.65   0.006% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.05 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   2.73 +/- 0.26  98.602% * 99.0260% (1.00  10.0 10.00   5.40 132.33) =  99.997%  kept
        T HB3   PRO   52 - HB2   PRO   93   6.95 +/- 2.04   0.797% *  0.3056% (0.31   1.0 10.00   0.02   0.46) =   0.002%
          HB2   LEU   71 - HG3   GLN   30   8.10 +/- 2.20   0.376% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   8.74 +/- 1.62   0.180% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.14 +/- 1.49   0.006% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.12 +/- 1.06   0.007% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.08 +/- 1.17   0.012% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.71 +/- 1.18   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.25 +/- 1.25   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  17.88 +/- 1.89   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.10 +/- 0.99   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  16.88 +/- 1.94   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.31 +/- 1.72   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.83 +/- 1.69   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.17 +/- 1.52   0.003% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.64 +/- 1.53   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  17.84 +/- 1.11   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  18.13 +/- 1.06   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  23.88 +/- 3.00   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.00 +/- 1.72   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.83 +/- 0.17  94.062% * 99.6822% (0.73  10.0 10.00   5.40 132.33) =  99.999%  kept
          HB2   TRP   27 - HG3   GLN   30   6.70 +/- 1.00   5.741% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB2   PRO   93  11.79 +/- 1.90   0.163% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  16.65 +/- 1.60   0.017% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  22.90 +/- 1.34   0.002% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.82 +/- 1.26   0.015% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.4, residual support = 132.3:
    * O T HD3   PRO   93 - HB2   PRO   93   4.00 +/- 0.21  70.024% * 97.4649% (0.90  10.0 10.00   5.40 132.33) =  99.956%  kept
          HB3   CYS   53 - HB2   PRO   93   6.35 +/- 2.24  19.342% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.031%
          QB    PHE   55 - HB2   PRO   93   7.04 +/- 1.64   5.766% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HB2   PRO   93   7.22 +/- 1.37   4.730% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   ARG+  54 - HB2   PRO   93  12.09 +/- 1.44   0.106% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   PRO   93  18.85 +/- 1.86   0.010% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  18.00 +/- 1.53   0.010% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  23.05 +/- 1.24   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  27.58 +/- 1.37   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.13 +/- 1.54   0.003% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.37 +/- 1.36   0.003% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.96 +/- 1.10   0.002% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.94 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.33) = 100.000%  kept
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.73 +/- 0.26  95.516% * 98.7141% (1.00  10.0 10.00   5.40 132.33) =  99.986%  kept
        T HG3   PRO   52 - HG2   PRO   93   6.52 +/- 2.55   4.207% *  0.3047% (0.31   1.0 10.00   0.02   0.46) =   0.014%
        T HG2   PRO   58 - HG2   PRO   93   9.90 +/- 1.04   0.057% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   PRO   93   9.07 +/- 1.53   0.113% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.42 +/- 1.26   0.094% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.02 +/- 1.49   0.011% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  22.83 +/- 1.69   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.53 +/- 1.39   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.22 +/- 1.37   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.15 +/- 2.29   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  37.15 +/- 2.29   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.62 +/- 0.29  99.989% * 99.7770% (0.73  10.0 10.00   4.00 132.33) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  12.97 +/- 1.32   0.010% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  18.66 +/- 1.27   0.001% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.57 +/- 0.30  95.113% * 98.6805% (0.90  10.0 10.00   4.00 132.33) =  99.995%  kept
          HB3   CYS   53 - HG2   PRO   93   6.18 +/- 2.13   2.806% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - HG2   PRO   93   5.67 +/- 1.46   1.815% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG2   PRO   93   7.84 +/- 1.05   0.247% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.21 +/- 1.26   0.017% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  20.42 +/- 2.23   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.02  99.855% * 99.2375% (0.84  10.0 10.00   2.43  25.31) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.09 +/- 1.19   0.057% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.41 +/- 1.10   0.016% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.25 +/- 0.78   0.043% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.55 +/- 0.97   0.009% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.17 +/- 0.97   0.005% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  15.81 +/- 1.31   0.006% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  16.50 +/- 1.71   0.005% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  17.90 +/- 1.16   0.003% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  20.75 +/- 0.94   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.41 +/- 0.18  99.972% * 99.7175% (1.00  10.0 10.00   2.96  25.31) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  12.66 +/- 1.18   0.007% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  13.00 +/- 1.71   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.06 +/- 0.75   0.012% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  16.75 +/- 2.00   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.02  99.816% * 99.9751% (0.84  10.0 10.00   2.43  25.31) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.33 +/- 1.19   0.184% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.991% * 99.7175% (0.84  10.0 10.00   2.43  25.31) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.25 +/- 0.92   0.006% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.08 +/- 1.17   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.30 +/- 1.80   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.43 +/- 1.94   0.001% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.41 +/- 0.18  99.948% * 99.9751% (1.00  10.0 10.00   2.96  25.31) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   8.83 +/- 0.86   0.052% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.967% * 99.2375% (0.84  10.0 10.00   2.43  25.31) = 100.000%  kept
          QB    SER   48 - QG2   THR   94  11.41 +/- 1.06   0.006% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.35 +/- 1.01   0.010% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   THR   94  12.59 +/- 2.10   0.004% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.75 +/- 0.82   0.008% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.72 +/- 0.94   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  13.97 +/- 1.30   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.80 +/- 1.06   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.12 +/- 0.90   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  17.95 +/- 0.80   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.06 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.49) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.56 +/- 0.12  99.993% * 99.8670% (1.00  10.0 10.00   4.00  73.49) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.31 +/- 0.93   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  19.00 +/- 0.82   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.06 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.49) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.998% * 99.8670% (1.00  10.0 10.00   3.31  73.49) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.80 +/- 0.79   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  21.84 +/- 0.84   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   2.56 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.49) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.49) = 100.000%  kept
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HA    MET   96   2.96 +/- 0.13  98.403% * 99.6213% (0.98  10.0 10.00   5.00 115.55) =  99.999%  kept
          HB2   ASP- 105 - HA    MET   96   6.22 +/- 0.77   1.567% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    MET   96  12.72 +/- 0.97   0.017% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.34 +/- 0.67   0.005% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.75 +/- 0.73   0.003% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.22 +/- 1.08   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  18.98 +/- 0.80   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HA    MET   96   2.78 +/- 0.15  99.970% * 99.7402% (0.98  10.0 10.00   5.00 115.55) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.22 +/- 0.91   0.028% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.85 +/- 0.95   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.43 +/- 1.12   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  32.15 +/- 1.90   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HA    MET   96   2.85 +/- 0.54  99.996% * 99.6261% (0.98  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.85 +/- 1.59   0.004% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HA    MET   96   2.57 +/- 0.51  99.982% * 99.7437% (0.59  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96  14.60 +/- 1.91   0.008% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.52 +/- 1.26   0.006% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.07 +/- 0.90   0.004% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.91 +/- 1.23   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB2   MET   96   2.96 +/- 0.13  99.786% * 99.9773% (0.98  10.0 10.00   5.00 115.55) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.59 +/- 0.89   0.214% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 99.7402% (1.00  10.0 10.00   5.00 115.55) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.86 +/- 0.95   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.32 +/- 0.95   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.18 +/- 1.18   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.58 +/- 2.11   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 = 115.6:
    * O T HG2   MET   96 - HB2   MET   96   2.62 +/- 0.31  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  17.97 +/- 1.81   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB2   MET   96   2.73 +/- 0.30  99.985% * 99.7437% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96  14.05 +/- 1.95   0.008% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  19.02 +/- 1.49   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.54 +/- 1.26   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.34 +/- 0.92   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB3   MET   96   2.78 +/- 0.15  99.871% * 99.9773% (0.98  10.0 10.00   5.00 115.55) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.21 +/- 1.18   0.129% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.992% * 99.6213% (1.00  10.0 10.00   5.00 115.55) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.88 +/- 0.74   0.007% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.20 +/- 1.19   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.54 +/- 0.91   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.80 +/- 0.86   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.62 +/- 1.11   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  16.45 +/- 0.89   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB3   MET   96   2.83 +/- 0.22  99.997% * 99.6261% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.85 +/- 1.74   0.003% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB3   MET   96   2.82 +/- 0.18  99.975% * 99.7437% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96  12.96 +/- 1.98   0.018% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.39 +/- 1.24   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  20.23 +/- 1.51   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.90 +/- 0.81   0.002% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG2   MET   96   2.85 +/- 0.54  99.909% * 99.6779% (0.98  10.0 10.00   4.44 115.55) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.59 +/- 1.08   0.085% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  16.85 +/- 1.59   0.004% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.39 +/- 1.80   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG2   MET   96   2.62 +/- 0.31  99.517% * 99.2205% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.13 +/- 1.38   0.461% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  17.97 +/- 1.81   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.72 +/- 1.00   0.006% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.52 +/- 1.08   0.005% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  16.90 +/- 1.08   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  17.56 +/- 1.14   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.01 +/- 1.08   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.65 +/- 2.43   0.003% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.46 +/- 1.32   0.001% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.07 +/- 1.88   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.81 +/- 1.74   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  26.76 +/- 2.02   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  31.42 +/- 1.97   0.000% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG2   MET   96   2.83 +/- 0.22  99.351% * 99.3732% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.85 +/- 0.72   0.615% *  0.0073% (0.07   1.0  1.00   0.02   1.76) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.64 +/- 1.14   0.029% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.85 +/- 1.74   0.003% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.22 +/- 0.99   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.35 +/- 1.70   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.39 +/- 1.78   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  32.18 +/- 2.23   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  30.37 +/- 2.24   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  40.97 +/- 2.18   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.998% * 99.2819% (0.61  10.0 10.00   4.00 115.55) = 100.000%  kept
        T HG3   MET   96 - HB2   PRO   52  18.34 +/- 1.56   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HG2   MET   96  14.01 +/- 2.32   0.001% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.71 +/- 0.67   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.62 +/- 1.68   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.84 +/- 1.32   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.77 +/- 1.79   0.000% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.59 +/- 1.47   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.77 +/- 2.35   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.74 +/- 2.34   0.000% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG3   MET   96   2.57 +/- 0.51  99.970% * 99.9773% (0.59  10.0 10.00   4.44 115.55) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.88 +/- 0.76   0.030% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG3   MET   96   2.73 +/- 0.30  99.742% * 99.6213% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.83 +/- 0.75   0.242% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.97 +/- 0.74   0.007% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.84 +/- 1.01   0.004% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  17.02 +/- 0.92   0.002% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.30 +/- 1.04   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  17.93 +/- 1.17   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 = 115.6:
    * O T HB3   MET   96 - HG3   MET   96   2.82 +/- 0.18  99.976% * 99.7402% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.89 +/- 0.86   0.023% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  23.62 +/- 0.66   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.20 +/- 1.38   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  32.68 +/- 1.80   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.55) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.34 +/- 1.56   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   2.91 +/- 0.24  98.290% * 99.7149% (1.00  10.0 10.00   2.89  62.64) =  99.999%  kept
          QE    LYS+ 106 - HA    PHE   97   7.71 +/- 1.19   1.056% *  0.0724% (0.73   1.0  1.00   0.02   9.99) =   0.001%
          QE    LYS+  99 - HA    PHE   97   7.23 +/- 0.74   0.581% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.13 +/- 1.13   0.027% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.99 +/- 1.30   0.030% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  13.49 +/- 1.53   0.016% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.68 +/- 0.21  99.970% * 99.7224% (0.95  10.0 10.00   3.44  62.64) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.01 +/- 0.50   0.024% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.72 +/- 0.93   0.003% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.44 +/- 1.31   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  18.31 +/- 1.55   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   2.91 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.64) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.64) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.58 +/- 1.04   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.34 +/- 1.05   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.68 +/- 1.93   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  20.19 +/- 1.52   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HA    PHE   97 - HB3   PHE   97   2.68 +/- 0.21 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.64) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.879% * 99.7149% (0.95  10.0 10.00   3.31  62.64) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.08 +/- 1.29   0.066% *  0.0724% (0.69   1.0  1.00   0.02   9.99) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   6.69 +/- 1.11   0.053% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.56 +/- 1.09   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  13.38 +/- 1.37   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  13.52 +/- 1.56   0.001% *  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 = 80.5:
    * O T QB    LEU   98 - HA    LEU   98   2.35 +/- 0.14  99.890% * 99.2568% (0.87  10.0 10.00   4.97  80.46) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.07 +/- 2.64   0.023% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.27 +/- 0.80   0.066% *  0.0226% (0.20   1.0  1.00   0.02   0.48) =   0.000%
          HB3   LEU   73 - HA    LEU   98  11.72 +/- 1.01   0.009% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.30 +/- 1.80   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.92 +/- 0.77   0.001% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  13.12 +/- 1.28   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  13.93 +/- 1.12   0.003% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.74 +/- 0.73   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  21.01 +/- 3.96   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.71 +/- 0.74   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  21.51 +/- 4.95   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.88 +/- 1.20   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.01 +/- 1.17   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 79.5:
    *   T QD1   LEU   98 - HA    LEU   98   2.45 +/- 0.45  83.418% * 93.5833% (1.00 10.00   4.91  80.46) =  98.667%  kept
          QD2   LEU  104 - HA    LEU   98   3.86 +/- 0.85  16.572% *  6.3631% (0.31  1.00   4.41   6.58) =   1.333%  kept
          QG2   ILE   19 - HA    LEU   98  12.59 +/- 1.01   0.006% *  0.0351% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.56 +/- 1.18   0.003% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 80.0:
    *   T QD2   LEU   98 - HA    LEU   98   3.79 +/- 0.35  87.731% * 92.7269% (1.00 10.00   4.32  80.46) =  99.087%  kept
          QG2   VAL   41 - HA    LEU   98   5.60 +/- 0.67  11.873% *  6.3077% (0.95  1.00   1.44  26.28) =   0.912%  kept
          QD2   LEU   63 - HA    LEU   98   9.84 +/- 1.03   0.383% *  0.0381% (0.41  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - HA    LEU   98  18.71 +/- 4.38   0.013% *  0.9273% (1.00 10.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 80.5:
    * O T HA    LEU   98 - QB    LEU   98   2.35 +/- 0.14 100.000% *100.0000% (0.87  10.0 10.00   4.97  80.46) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 80.5:
    * O T QD1   LEU   98 - QB    LEU   98   2.22 +/- 0.15  98.919% * 99.3996% (0.87  10.0 10.00   3.93  80.46) = 100.000%  kept
          QD2   LEU  104 - QB    LEU   98   5.20 +/- 0.76   1.046% *  0.0307% (0.27   1.0  1.00   0.02   6.58) =   0.000%
        T QG2   ILE   19 - QB    LEU   98   9.69 +/- 1.06   0.021% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  10.66 +/- 1.15   0.014% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.862, support = 3.31, residual support = 74.3:
    * O T QD2   LEU   98 - QB    LEU   98   2.07 +/- 0.11  87.984% * 51.1151% (0.87  10.0 10.00   3.37  80.46) =  88.574%  kept
        T QG2   VAL   41 - QB    LEU   98   3.16 +/- 0.62  11.998% * 48.3528% (0.82   1.0 10.00   2.84  26.28) =  11.426%  kept
        T QD1   LEU   80 - QB    LEU   98  15.24 +/- 3.94   0.002% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.08 +/- 0.87   0.016% *  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 = 4.91, residual support = 80.5:
    *   T HA    LEU   98 - QD1   LEU   98   2.45 +/- 0.45 100.000% *100.0000% (1.00 10.00   4.91  80.46) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 80.5:
    * O T QB    LEU   98 - QD1   LEU   98   2.22 +/- 0.15  99.869% * 98.1517% (0.87  10.0 10.00   3.93  80.46) = 100.000%  kept
          HD3   LYS+ 121 - QD1   LEU   98  11.12 +/- 2.12   0.019% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.93 +/- 1.58   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   98   8.04 +/- 0.98   0.068% *  0.0224% (0.20   1.0  1.00   0.02   0.48) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  16.58 +/- 4.37   0.002% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.52 +/- 1.12   0.022% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.43 +/- 1.04   0.008% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.96 +/- 1.02   0.002% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  16.24 +/- 3.56   0.001% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  14.19 +/- 1.17   0.002% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.69 +/- 1.12   0.004% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.78 +/- 1.09   0.001% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.96 +/- 1.06   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  18.01 +/- 1.29   0.000% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.75, residual support = 80.5:
    * O T QD2   LEU   98 - QD1   LEU   98   2.06 +/- 0.07  99.074% * 98.8770% (1.00  10.0 10.00   2.75  80.46) =  99.999%  kept
          QG2   VAL   41 - QD1   LEU   98   4.72 +/- 0.63   0.908% *  0.0935% (0.95   1.0  1.00   0.02  26.28) =   0.001%
        T QD1   LEU   80 - QD1   LEU   98  14.45 +/- 3.83   0.002% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.55 +/- 1.34   0.016% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 80.5:
    *   T HA    LEU   98 - QD2   LEU   98   3.79 +/- 0.35  99.985% * 99.4301% (1.00 10.00   4.32  80.46) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  18.71 +/- 4.38   0.015% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.721, support = 3.75, residual support = 80.7:
    * O T QB    LEU   98 - QD2   LEU   98   2.07 +/- 0.11  48.077% * 50.3539% (0.87  10.0 10.00   3.37  80.46) =  70.765%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  41.693% * 16.1964% (0.28  10.0  1.00   4.46  81.14) =  19.739%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.91 +/- 0.43  10.117% * 32.1120% (0.55  10.0 10.00   5.06  81.14) =   9.496%  kept
          HB    VAL   42 - QD2   LEU   98   6.93 +/- 0.83   0.047% *  0.0115% (0.20   1.0  1.00   0.02   0.48) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  14.49 +/- 3.48   0.001% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80  10.48 +/- 3.05   0.015% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.52 +/- 1.09   0.029% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  15.24 +/- 3.94   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.04 +/- 2.07   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.04 +/- 1.06   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.19 +/- 1.28   0.004% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.15 +/- 1.41   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  11.41 +/- 3.65   0.007% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  14.77 +/- 4.35   0.001% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.02 +/- 1.10   0.001% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.92 +/- 0.96   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  15.12 +/- 3.20   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.82 +/- 1.10   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  16.10 +/- 2.21   0.000% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.83 +/- 0.88   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  15.37 +/- 1.51   0.000% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  17.54 +/- 4.54   0.000% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  16.24 +/- 3.32   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.94 +/- 1.30   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  20.68 +/- 3.04   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  23.77 +/- 4.13   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  20.77 +/- 3.41   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  20.56 +/- 1.92   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.75, residual support = 80.5:
    * O T QD1   LEU   98 - QD2   LEU   98   2.06 +/- 0.07  99.795% * 98.8641% (1.00  10.0 10.00   2.75  80.46) = 100.000%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.30 +/- 0.58   0.150% *  0.3051% (0.31   1.0 10.00   0.02   6.58) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  14.45 +/- 3.83   0.002% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   8.84 +/- 1.04   0.020% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  10.83 +/- 2.89   0.017% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.93 +/- 0.90   0.010% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  12.34 +/- 2.85   0.006% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  18.64 +/- 3.44   0.000% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 175.6:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.35 +/- 0.25  94.754% * 98.7502% (1.00  10.0 10.00   6.44 175.58) =  99.992%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.39 +/- 1.77   1.426% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   39 - HA    LYS+  99   6.05 +/- 0.55   3.608% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HA    LYS+  99  10.02 +/- 1.00   0.179% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  14.46 +/- 1.45   0.018% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.93 +/- 0.91   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  23.41 +/- 1.56   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.22 +/- 1.42   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.65 +/- 1.46   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  22.10 +/- 2.61   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.547, support = 6.06, residual support = 175.6:
      O T HB3   LYS+  99 - HA    LYS+  99   2.46 +/- 0.22  88.882% * 28.6795% (0.41  10.0 10.00   6.13 175.58) =  76.883%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.96 +/- 0.59  10.987% * 69.7607% (1.00   1.0 10.00   5.82 175.58) =  23.116%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.95 +/- 1.38   0.012% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.05 +/- 0.90   0.110% *  0.0155% (0.22   1.0  1.00   0.02   1.77) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  15.91 +/- 3.09   0.003% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.61 +/- 1.24   0.006% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.06 +/- 1.21   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  21.99 +/- 0.60   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.07 +/- 2.49   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.51 +/- 1.17   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 = 175.6:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.65 +/- 0.39  95.150% * 98.5233% (1.00  10.0 10.00   7.06 175.58) =  99.996%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.19 +/- 1.66   0.275% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LYS+  99   6.05 +/- 1.06   4.504% *  0.0219% (0.22   1.0  1.00   0.02  18.35) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  10.61 +/- 1.32   0.048% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.36 +/- 1.36   0.007% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.54 +/- 2.40   0.009% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.36 +/- 0.75   0.003% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.77 +/- 0.91   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.50 +/- 2.14   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  23.67 +/- 4.01   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  23.60 +/- 1.49   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  21.74 +/- 1.76   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 175.5:
    *   T QE    LYS+  99 - HA    LYS+  99   3.60 +/- 0.35  96.435% * 98.3577% (1.00 10.00   5.57 175.58) =  99.979%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.47 +/- 1.66   1.743% *  0.8821% (0.90 10.00   0.02   0.02) =   0.016%
        T QE    LYS+ 102 - HA    LYS+  99   8.63 +/- 0.60   0.569% *  0.6756% (0.69 10.00   0.02   1.77) =   0.004%
          HB2   PHE   97 - HA    LYS+  99   7.76 +/- 0.46   1.214% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  14.01 +/- 1.13   0.040% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 175.6:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.95 +/- 0.16  94.299% * 99.5483% (1.00  10.0 10.00   7.00 175.58) =  99.998%  kept
          HA    LEU   40 - HB2   LYS+  99   5.03 +/- 0.63   5.556% *  0.0248% (0.25   1.0  1.00   0.02  11.53) =   0.001%
          HA    ASN   35 - HB2   LYS+  99   9.50 +/- 1.19   0.120% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  13.73 +/- 3.40   0.018% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  21.40 +/- 1.32   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.35 +/- 1.37   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.31 +/- 1.37   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.72 +/- 1.33   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.07 +/- 1.10   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.03 +/- 1.54   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 175.6:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.57 +/- 0.26  99.754% * 98.7502% (1.00  10.0 10.00   6.44 175.58) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.85 +/- 2.14   0.065% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   7.89 +/- 0.51   0.151% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.25 +/- 1.79   0.025% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  16.88 +/- 1.67   0.002% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  24.08 +/- 1.74   0.000% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.53 +/- 1.00   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.26 +/- 1.36   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  21.05 +/- 1.46   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  21.12 +/- 2.66   0.001% *  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 = 0.551, support = 5.04, residual support = 175.6:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  88.566% * 29.0322% (0.41  10.0   4.84 175.58) =  76.176%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.57 +/- 0.34  11.388% * 70.6187% (1.00  10.0   5.69 175.58) =  23.824%  kept
          QD    LYS+ 102 - HB2   LYS+  99   6.88 +/- 1.18   0.041% *  0.0157% (0.22   1.0   0.02   1.77) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.04 +/- 1.32   0.004% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.69 +/- 1.55   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  14.77 +/- 2.95   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.00 +/- 1.09   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.01 +/- 2.69   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.11 +/- 0.84   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.60 +/- 1.53   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 = 175.6:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.90 +/- 0.21  99.100% * 99.3871% (1.00  10.0   7.05 175.58) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   6.93 +/- 0.70   0.719% *  0.0221% (0.22   1.0   0.02  18.35) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99   9.83 +/- 1.96   0.134% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  12.94 +/- 1.25   0.017% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  13.14 +/- 2.38   0.017% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.82 +/- 1.17   0.007% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.40 +/- 0.87   0.003% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.57 +/- 2.23   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.64 +/- 1.09   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  24.02 +/- 1.52   0.000% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  25.28 +/- 4.24   0.000% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  22.70 +/- 1.91   0.001% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 175.6:
    *     QE    LYS+  99 - HB2   LYS+  99   3.33 +/- 0.50  95.482% * 99.0823% (1.00   5.28 175.58) =  99.989%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.34 +/- 1.20   2.412% *  0.2580% (0.69   0.02   1.77) =   0.007%
          HB2   PHE   97 - HB2   LYS+  99   6.92 +/- 0.74   1.681% *  0.1544% (0.41   0.02   0.02) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99   9.30 +/- 2.12   0.415% *  0.3369% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  16.23 +/- 1.14   0.010% *  0.1684% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 175.6:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.35 +/- 0.25  84.936% * 97.9094% (1.00  10.0 10.00   6.44 175.58) =  99.995%  kept
          HA    LEU   40 - HG3   LYS+  99   5.27 +/- 0.67   6.542% *  0.0244% (0.25   1.0  1.00   0.02  11.53) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.39 +/- 1.77   1.345% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG3   LYS+  38   5.76 +/- 0.87   5.773% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG3   LYS+  99   8.62 +/- 1.50   0.464% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG3   LYS+  99  14.24 +/- 3.97   0.064% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.42 +/- 0.96   0.536% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  23.11 +/- 1.70   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  15.70 +/- 3.61   0.299% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  23.41 +/- 1.56   0.001% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  18.38 +/- 1.44   0.004% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.11 +/- 1.81   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.72 +/- 1.72   0.003% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.51 +/- 1.50   0.005% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  19.30 +/- 4.30   0.004% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  22.94 +/- 2.66   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.93 +/- 2.32   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.25 +/- 1.81   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  25.91 +/- 1.52   0.000% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  17.71 +/- 3.24   0.012% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  21.07 +/- 1.38   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.38 +/- 1.51   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  21.65 +/- 1.47   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  28.53 +/- 1.38   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  23.18 +/- 0.86   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  24.27 +/- 2.14   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.55 +/- 2.05   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  27.34 +/- 1.16   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.04 +/- 2.36   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  33.28 +/- 1.97   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 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 = 0.809, support = 4.72, residual support = 185.0:
    * O T QE    LYS+  99 - HG3   LYS+  99   3.07 +/- 0.42  25.169% * 89.0505% (1.00  10.0 10.00   4.84 175.58) =  78.901%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.46 +/- 0.45  71.832% *  8.3338% (0.09  10.0 10.00   4.29 220.62) =  21.074%  kept
        T QE    LYS+  38 - HG3   LYS+  99   7.69 +/- 2.31   0.546% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.015%
        T QE    LYS+  99 - HG3   LYS+  38   7.69 +/- 2.20   2.304% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+ 102 - HG3   LYS+  99   8.04 +/- 1.40   0.099% *  0.6117% (0.69   1.0 10.00   0.02   1.77) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   9.06 +/- 0.92   0.036% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.91 +/- 2.09   0.008% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  21.36 +/- 2.30   0.000% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  23.19 +/- 1.38   0.000% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.17 +/- 1.32   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  15.33 +/- 1.83   0.002% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  27.55 +/- 1.90   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.53 +/- 1.66   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  18.97 +/- 1.73   0.000% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.46 +/- 2.47   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 175.4:
    *   T HA    LYS+  99 - QD    LYS+  99   3.96 +/- 0.59  76.298% * 95.3453% (1.00 10.00   5.82 175.58) =  99.896%  kept
          HA    LEU   40 - QD    LYS+  99   5.05 +/- 0.93  21.278% *  0.3209% (0.25  1.00   0.27  11.53) =   0.094%
        T HA    LEU  123 - QD    LYS+  99  11.24 +/- 3.37   0.421% *  0.8271% (0.87 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - QD    LYS+ 106  11.95 +/- 1.38   0.280% *  0.7677% (0.81 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - QD    LYS+  99   9.02 +/- 1.49   0.816% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  14.10 +/- 1.46   0.056% *  0.7262% (0.76 10.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - QD    LYS+ 106  15.58 +/- 2.47   0.049% *  0.6659% (0.70 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.58 +/- 1.83   0.532% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.07 +/- 1.69   0.095% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  19.90 +/- 1.29   0.006% *  0.9019% (0.95 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  16.82 +/- 1.84   0.023% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.06 +/- 1.21   0.055% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.66 +/- 1.42   0.006% *  0.0796% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.70 +/- 1.41   0.017% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.43 +/- 1.59   0.027% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.28 +/- 1.13   0.015% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.29 +/- 2.33   0.011% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  18.86 +/- 1.72   0.008% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.06 +/- 1.23   0.005% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.59 +/- 2.09   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 175.6:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.41 +/- 0.11  99.382% * 97.4178% (1.00  10.0  1.00   5.85 175.58) =  99.999%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.32 +/- 2.32   0.035% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.12 +/- 2.14   0.178% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.53 +/- 1.76   0.257% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.43 +/- 0.65   0.064% *  0.0217% (0.22   1.0  1.00   0.02  18.35) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.87 +/- 2.28   0.024% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.25 +/- 1.35   0.006% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.17 +/- 1.29   0.004% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.85 +/- 1.42   0.010% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.92 +/- 1.41   0.007% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.59 +/- 1.96   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.91 +/- 1.22   0.009% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.63 +/- 1.25   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  13.71 +/- 2.34   0.009% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.40 +/- 1.91   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  14.73 +/- 1.99   0.003% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.93 +/- 0.93   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  18.66 +/- 3.65   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.49 +/- 1.80   0.001% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  15.24 +/- 1.84   0.002% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  18.14 +/- 1.04   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  23.23 +/- 1.24   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  24.47 +/- 3.66   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  21.91 +/- 1.62   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 175.6:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.26 +/- 0.11  99.380% * 94.6730% (1.00  10.0 10.00   5.27 175.58) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.01 +/- 2.31   0.226% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  99   6.68 +/- 0.78   0.270% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106   9.83 +/- 2.83   0.058% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  13.00 +/- 1.34   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.42 +/- 1.10   0.014% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.08 +/- 1.95   0.025% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  14.31 +/- 2.53   0.003% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.71 +/- 1.26   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  12.67 +/- 2.36   0.007% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.63 +/- 0.99   0.000% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.72 +/- 1.79   0.006% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.33 +/- 1.32   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.46 +/- 1.68   0.002% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.60 +/- 1.96   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.73 +/- 2.36   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  20.18 +/- 2.36   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  23.61 +/- 1.55   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.06 +/- 1.88   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  20.22 +/- 1.26   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 175.6:
    * O T QE    LYS+  99 - QD    LYS+  99   2.10 +/- 0.03  98.890% * 96.3213% (1.00  10.0 10.00   4.52 175.58) =  99.993%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.29 +/- 2.47   0.671% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+ 102 - QD    LYS+  99   8.04 +/- 1.23   0.048% *  0.6616% (0.69   1.0 10.00   0.02   1.77) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.75 +/- 1.64   0.015% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.37 +/- 0.97   0.312% *  0.0319% (0.33   1.0  1.00   0.02   9.99) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.58 +/- 1.33   0.017% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.80 +/- 0.64   0.044% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.08 +/- 1.88   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.25 +/- 1.70   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.03 +/- 1.31   0.001% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.985, support = 5.5, residual support = 172.3:
    *   T HA    LYS+  99 - QE    LYS+  99   3.60 +/- 0.35  48.968% * 95.8018% (1.00 10.00   5.57 175.58) =  98.020%  kept
          HA    LEU   40 - QE    LYS+  99   3.78 +/- 0.63  38.285% *  2.4619% (0.25  1.00   2.06  11.53) =   1.969%  kept
        T HA    LYS+  99 - QE    LYS+  38   8.47 +/- 1.66   0.840% *  0.2585% (0.27 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - QE    LYS+ 102   8.63 +/- 0.60   0.254% *  0.6533% (0.68 10.00   0.02   1.77) =   0.003%
          HA    ASN   35 - QE    LYS+  38   6.74 +/- 0.93   2.265% *  0.0249% (0.26  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  38  14.74 +/- 4.48   7.991% *  0.0035% (0.04  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+  99   8.73 +/- 1.36   0.290% *  0.0925% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  99  10.34 +/- 3.30   0.265% *  0.0831% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.52 +/- 1.13   0.628% *  0.0064% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.40 +/- 1.06   0.057% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.79 +/- 0.86   0.072% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.62 +/- 1.17   0.018% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  18.12 +/- 3.08   0.004% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.91 +/- 1.22   0.002% *  0.0906% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  17.17 +/- 4.10   0.009% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.53 +/- 1.37   0.008% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.30 +/- 1.35   0.002% *  0.0800% (0.84  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.52 +/- 3.68   0.028% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.52 +/- 1.93   0.001% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  17.19 +/- 1.36   0.004% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.91 +/- 1.26   0.001% *  0.0618% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.72 +/- 1.18   0.002% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.23 +/- 1.26   0.001% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  25.52 +/- 2.55   0.000% *  0.0244% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.22 +/- 1.09   0.001% *  0.0088% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  26.57 +/- 2.00   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  22.14 +/- 2.51   0.001% *  0.0064% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.68 +/- 1.05   0.000% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.90 +/- 1.25   0.000% *  0.0088% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  24.71 +/- 2.86   0.001% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.575, support = 4.74, residual support = 175.6:
      O T QD    LYS+  99 - QE    LYS+  99   2.10 +/- 0.03  62.436% * 59.3751% (0.41  10.0 10.00   4.52 175.58) =  72.250%  kept
          HB3   LYS+  99 - QE    LYS+  99   2.58 +/- 0.79  37.164% * 38.3099% (1.00   1.0  1.00   5.31 175.58) =  27.748%  kept
        T QD    LYS+  99 - QE    LYS+  38   7.29 +/- 2.47   0.295% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QE    LYS+ 102   8.04 +/- 1.23   0.029% *  0.4049% (0.28   1.0 10.00   0.02   1.77) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.75 +/- 1.64   0.008% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.58 +/- 1.33   0.010% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.39 +/- 1.30   0.032% *  0.0985% (0.68   1.0  1.00   0.02   1.77) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.09 +/- 2.02   0.023% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.27 +/- 0.99   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.08 +/- 1.88   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.19 +/- 1.23   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.28 +/- 1.07   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.17 +/- 2.69   0.001% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.99 +/- 1.22   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  22.08 +/- 2.52   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  23.12 +/- 1.56   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  21.17 +/- 2.13   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  27.38 +/- 2.21   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 = 0.798, support = 4.71, residual support = 185.6:
    * O T HG3   LYS+  99 - QE    LYS+  99   3.07 +/- 0.42  24.592% * 88.1476% (1.00  10.0 10.00   4.84 175.58) =  77.573%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.46 +/- 0.45  70.105% *  8.9252% (0.10  10.0 10.00   4.29 220.62) =  22.391%  kept
        T HG3   LYS+  38 - QE    LYS+  99   7.69 +/- 2.20   2.273% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.027%
        T HG3   LYS+  99 - QE    LYS+  38   7.69 +/- 2.31   0.535% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  99 - QE    LYS+ 102   8.04 +/- 1.40   0.097% *  0.6011% (0.68   1.0 10.00   0.02   1.77) =   0.002%
          QG2   THR   39 - QE    LYS+  99   5.34 +/- 0.65   0.844% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QE    LYS+  38   6.67 +/- 1.54   1.269% *  0.0154% (0.17   1.0  1.00   0.02  28.84) =   0.001%
          HG    LEU   71 - QE    LYS+  99   9.51 +/- 1.75   0.089% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.36 +/- 2.35   0.086% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  15.23 +/- 3.95   0.083% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.91 +/- 2.09   0.008% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  13.82 +/- 1.40   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.23 +/- 0.81   0.006% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  21.36 +/- 2.30   0.000% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.30 +/- 0.90   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  16.64 +/- 1.12   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  23.19 +/- 1.38   0.000% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.59 +/- 1.20   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.66 +/- 1.15   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.47 +/- 1.24   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  19.99 +/- 1.74   0.000% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.36 +/- 0.86   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  19.81 +/- 2.75   0.001% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.00 +/- 2.36   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.08 +/- 1.18   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  21.24 +/- 3.01   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  27.55 +/- 1.90   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.88 +/- 2.18   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.91 +/- 2.03   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  26.89 +/- 2.52   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.95 +/- 0.18  91.848% * 99.1823% (1.00  10.0 10.00   4.26  75.58) =  99.995%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.76 +/- 2.97   7.831% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLN   32 - HA    GLU- 100   9.59 +/- 1.37   0.170% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU- 100  10.69 +/- 0.57   0.045% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.64 +/- 0.57   0.085% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  12.65 +/- 1.21   0.019% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.29 +/- 1.76   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.62 +/- 1.63   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.84 +/- 1.22   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.51 +/- 1.35   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.93 +/- 1.76   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.11 +/- 1.31   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.50 +/- 0.15  80.351% * 99.2716% (1.00  10.0 10.00   4.26  75.58) =  99.986%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.76 +/- 3.19  18.772% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.014%
          HB2   GLN   30 - HA    GLU- 100  11.88 +/- 1.63   0.011% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.47 +/- 3.23   0.833% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  13.07 +/- 1.66   0.005% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.51 +/- 1.23   0.010% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.29 +/- 1.61   0.010% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  14.89 +/- 1.36   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.50 +/- 2.02   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.41 +/- 0.86   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.10 +/- 1.90   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  22.85 +/- 1.22   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.41 +/- 1.10   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.20 +/- 1.33   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.33 +/- 2.43   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  18.69 +/- 2.84   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.21 +/- 1.34   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.05 +/- 1.91   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  22.71 +/- 1.64   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.24 +/- 1.24   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  31.86 +/- 1.20   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.25 +/- 2.12   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 75.5:
    * O T HG2   GLU- 100 - HA    GLU- 100   3.12 +/- 0.46  55.498% * 99.4988% (1.00  10.0 10.00   4.72  75.58) =  99.952%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.15 +/- 2.74  44.419% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.048%
          HB2   MET   96 - HA    GLU- 100  12.50 +/- 0.83   0.012% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.23 +/- 1.58   0.017% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.11 +/- 0.70   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.24 +/- 1.32   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.29 +/- 0.97   0.024% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.04 +/- 1.42   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.55 +/- 1.30   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  24.36 +/- 1.28   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.33 +/- 2.90   0.010% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.95 +/- 1.38   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.28 +/- 1.22   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.99 +/- 0.75   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.55 +/- 1.58   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.85 +/- 1.24   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.35 +/- 0.86   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  28.30 +/- 1.72   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 2 structures by 0.23 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   2.95 +/- 0.18  92.155% * 98.6741% (1.00  10.0 10.00   4.26  75.58) =  99.981%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.76 +/- 2.97   7.844% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.019%
        T HD2   PRO   58 - HB2   GLU- 100  28.18 +/- 1.37   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  25.46 +/- 3.22   0.000% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.31 +/- 1.08   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.6:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.58) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.33 +/- 1.66   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  15.57 +/- 1.76   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  18.27 +/- 1.92   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.11 +/- 1.85   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.37 +/- 1.17   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.74 +/- 1.07   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.75 +/- 1.06   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.34 +/- 1.02   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  25.39 +/- 2.13   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.33 +/- 1.20   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.93 +/- 0.12  99.964% * 99.5837% (1.00  10.0 10.00   3.24  75.58) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.58 +/- 0.77   0.011% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.81 +/- 1.01   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  13.40 +/- 1.23   0.014% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  17.68 +/- 1.64   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.70 +/- 1.35   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.33 +/- 1.24   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.27 +/- 1.56   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.47 +/- 1.15   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 0.27 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.50 +/- 0.15  81.222% * 99.5406% (1.00  10.0 10.00   4.26  75.58) =  99.949%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.76 +/- 3.19  18.778% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.051%
          HA    VAL   83 - HB3   GLU- 100  25.63 +/- 3.10   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.52 +/- 1.58   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.61 +/- 1.19   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.6:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.995% * 99.6840% (1.00  10.0 10.00   2.00  75.58) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.63 +/- 0.61   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  10.74 +/- 1.63   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.48 +/- 1.43   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.36 +/- 1.68   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  27.39 +/- 1.79   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.37 +/- 0.12  99.991% * 99.0882% (1.00  10.0 10.00   3.24  75.58) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  13.22 +/- 1.43   0.004% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.05 +/- 0.85   0.002% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.74 +/- 0.58   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  19.25 +/- 1.63   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.02 +/- 1.65   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  26.25 +/- 1.49   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.84 +/- 1.58   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  27.99 +/- 1.59   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.71, residual support = 75.4:
    * O T HA    GLU- 100 - HG2   GLU- 100   3.12 +/- 0.46  55.559% * 99.5406% (1.00  10.0 10.00   4.72  75.58) =  99.822%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.15 +/- 2.74  44.441% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.178%
          HA    VAL   83 - HG2   GLU- 100  26.44 +/- 2.96   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  28.12 +/- 1.72   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.56 +/- 1.31   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.07 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   2.93 +/- 0.12  99.919% * 99.6840% (1.00  10.0 10.00   3.24  75.58) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.65 +/- 0.93   0.031% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.25 +/- 1.60   0.049% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.16 +/- 1.77   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  24.60 +/- 1.61   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.81 +/- 1.95   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.15 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   2.37 +/- 0.12  99.990% * 98.4783% (1.00  10.0 10.00   3.24  75.58) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  16.73 +/- 2.25   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  14.70 +/- 1.34   0.002% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.85 +/- 1.49   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  14.94 +/- 1.53   0.002% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.11 +/- 1.25   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.22 +/- 2.30   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.02 +/- 0.99   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.39 +/- 1.39   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.32 +/- 2.47   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.46 +/- 1.44   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  18.96 +/- 1.73   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.991% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101   9.66 +/- 1.66   0.007% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  12.00 +/- 2.19   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  17.72 +/- 2.11   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.03 +/- 0.74   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.69 +/- 1.99   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  21.61 +/- 3.28   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.40 +/- 1.39   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.8:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.37 +/- 0.09  97.913% * 99.0531% (1.00  10.0 10.00   6.31 159.81) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.56 +/- 0.32   2.048% *  0.0338% (0.34   1.0  1.00   0.02  22.16) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   9.44 +/- 1.32   0.035% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.99 +/- 0.93   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.79 +/- 1.73   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.52 +/- 1.06   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.15 +/- 0.77   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  20.08 +/- 2.71   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.87 +/- 0.98   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  25.85 +/- 1.29   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.25 +/- 0.33  99.804% * 99.3298% (1.00  10.0 10.00   5.75 159.81) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.10 +/- 0.89   0.141% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.24 +/- 1.19   0.018% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.91 +/- 2.11   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  17.39 +/- 1.43   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.85 +/- 2.24   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.32 +/- 1.57   0.010% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.66 +/- 0.70   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.56 +/- 0.80   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.35 +/- 0.85   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.18 +/- 1.53   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  24.10 +/- 5.14   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.26 +/- 0.61   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.05 +/- 0.76  85.584% * 96.7067% (1.00  10.0 10.00   5.05 159.81) =  99.993%  kept
          QB    LEU   98 - HA    LYS+ 102   5.08 +/- 0.97  11.018% *  0.0330% (0.34   1.0  1.00   0.02   2.59) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+ 102   9.61 +/- 0.78   0.163% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+ 102   6.18 +/- 0.82   3.182% *  0.0269% (0.28   1.0  1.00   0.02   2.59) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  15.86 +/- 1.06   0.008% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.90 +/- 0.78   0.027% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  15.56 +/- 0.99   0.008% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.60 +/- 1.26   0.001% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  17.02 +/- 2.42   0.005% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.00 +/- 0.80   0.002% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  21.40 +/- 2.20   0.001% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.37 +/- 0.97   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.51 +/- 1.19   0.001% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.02 +/- 0.88   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.83 +/- 0.81  99.049% * 98.2489% (1.00 10.00   5.05 159.81) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   7.71 +/- 0.62   0.585% *  0.0219% (0.22  1.00   0.02   1.77) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  10.53 +/- 2.07   0.144% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.90 +/- 1.16   0.185% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  14.57 +/- 2.24   0.021% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  22.31 +/- 2.94   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.34 +/- 1.16   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  15.83 +/- 1.23   0.008% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  19.48 +/- 2.67   0.003% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  21.89 +/- 3.28   0.002% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.25 +/- 1.19   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.72 +/- 0.62   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.25 +/- 0.18  99.611% * 98.4155% (1.00 10.00   5.05 159.81) =  99.997%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.70 +/- 0.50   0.316% *  0.6760% (0.69 10.00   0.02   1.77) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  11.82 +/- 1.97   0.073% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.8:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.09  99.947% * 99.1785% (1.00  10.0 10.00   6.31 159.81) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   9.44 +/- 1.32   0.036% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  11.80 +/- 1.52   0.009% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.46 +/- 1.16   0.007% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  19.42 +/- 1.19   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.39 +/- 0.74   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.29 +/- 1.45   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.08 +/- 0.80   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.95 +/- 1.05   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.22 +/- 1.21   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.86 +/- 1.79   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.79 +/- 0.93   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.8:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.32 +/- 0.12  98.244% * 96.6607% (1.00  10.0 10.00   5.31 159.81) =  99.999%  kept
          HG    LEU   73 - HB    VAL   41   5.45 +/- 1.06   1.065% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB    VAL   41   6.09 +/- 0.97   0.555% *  0.0348% (0.36   1.0  1.00   0.02  20.83) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.97 +/- 1.70   0.015% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   8.77 +/- 1.17   0.059% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  12.14 +/- 1.29   0.006% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.55 +/- 2.15   0.002% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.22 +/- 2.01   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.53 +/- 1.29   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.99 +/- 1.91   0.029% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  11.29 +/- 0.86   0.009% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  13.76 +/- 0.96   0.003% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.15 +/- 1.58   0.002% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  13.82 +/- 1.47   0.003% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.73 +/- 0.60   0.001% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.91 +/- 0.65   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.31 +/- 0.94   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.55 +/- 0.71   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.77 +/- 0.75   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  18.23 +/- 4.49   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.65 +/- 1.67   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.17 +/- 1.45   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.01 +/- 0.59   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.67 +/- 1.24   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  23.23 +/- 4.45   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  19.02 +/- 1.61   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.94, support = 4.62, residual support = 150.4:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.38 +/- 0.18  62.598% * 81.1240% (1.00  10.0 10.00   4.75 159.81) =  92.939%  kept
        T QB    LEU   98 - HB    VAL   41   3.31 +/- 1.25  31.011% * 12.4339% (0.15   1.0 10.00   2.96  26.28) =   7.057%  kept
        T HB    VAL   42 - HB    VAL   41   6.28 +/- 0.30   0.206% *  0.3573% (0.44   1.0 10.00   0.02  24.50) =   0.001%
          HG    LEU   98 - HB    VAL   41   5.01 +/- 1.36   4.831% *  0.0101% (0.12   1.0  1.00   0.02  26.28) =   0.001%
          HB3   LEU   73 - HB    VAL   41   7.21 +/- 1.29   0.674% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.18 +/- 1.52   0.059% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.11 +/- 0.90   0.026% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    LYS+ 102   5.64 +/- 0.71   0.430% *  0.0277% (0.34   1.0  1.00   0.02   2.59) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  11.96 +/- 0.83   0.004% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.90 +/- 0.70   0.138% *  0.0226% (0.28   1.0  1.00   0.02   2.59) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  11.36 +/- 1.41   0.005% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.71 +/- 1.78   0.006% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  14.84 +/- 1.29   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  17.58 +/- 1.03   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.91 +/- 1.22   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.05 +/- 0.78   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.68 +/- 1.02   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  14.09 +/- 2.22   0.003% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.76 +/- 1.29   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.67 +/- 1.11   0.004% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.93 +/- 1.69   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.97 +/- 1.27   0.001% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.57 +/- 0.73   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  20.53 +/- 1.81   0.000% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  17.82 +/- 1.38   0.000% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.84 +/- 1.26   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.08 +/- 1.95   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.86 +/- 0.67   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 = 159.8:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.29 +/- 0.33  98.124% * 94.6216% (1.00  10.0 10.00   4.75 159.81) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.61 +/- 2.29   0.092% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   5.57 +/- 1.19   1.379% *  0.0211% (0.22   1.0  1.00   0.02   1.77) =   0.000%
        T QD    LYS+  38 - HB    VAL   41   9.92 +/- 1.15   0.024% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.91 +/- 1.45   0.019% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   7.37 +/- 1.39   0.251% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.40 +/- 1.27   0.035% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.74 +/- 1.00   0.050% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.18 +/- 3.02   0.001% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.33 +/- 1.93   0.006% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  17.92 +/- 2.56   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.13 +/- 1.01   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.71 +/- 1.17   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  18.85 +/- 1.25   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.73 +/- 1.13   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.81 +/- 2.06   0.010% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  16.43 +/- 2.49   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.29 +/- 1.06   0.002% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.58 +/- 2.01   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.52 +/- 1.82   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  17.25 +/- 2.35   0.001% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  21.30 +/- 2.76   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.52 +/- 0.48   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.98 +/- 1.12   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.8:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.62 +/- 0.45  99.056% * 97.2926% (1.00 10.00   4.75 159.81) =  99.994%  kept
        T QE    LYS+  99 - QB    LYS+ 102   6.75 +/- 1.01   0.592% *  0.6683% (0.69 10.00   0.02   1.77) =   0.004%
        T QE    LYS+  38 - QB    LYS+ 102   9.81 +/- 2.18   0.076% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.83 +/- 0.69   0.213% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HB    VAL   41  11.00 +/- 1.24   0.035% *  0.4036% (0.41 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HB    VAL   41  11.40 +/- 1.10   0.029% *  0.4372% (0.45 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 = 159.8:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.25 +/- 0.33  99.996% * 99.7392% (1.00  10.0 10.00   5.75 159.81) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.04 +/- 1.53   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.86 +/- 1.39   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.01 +/- 1.28   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.23 +/- 1.37   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  33.26 +/- 1.89   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.8:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.32 +/- 0.12  99.832% * 98.4503% (1.00  10.0 10.00   5.31 159.81) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.97 +/- 1.70   0.015% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.25 +/- 0.74   0.150% *  0.0336% (0.34   1.0  1.00   0.02  22.16) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.26 +/- 2.36   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.96 +/- 1.63   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.20 +/- 2.00   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.09 +/- 1.40   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  20.30 +/- 3.74   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.82 +/- 1.47   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  27.84 +/- 1.59   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.944% * 96.7067% (1.00  10.0 10.00   4.42 159.81) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.39 +/- 1.45   0.002% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.87 +/- 1.00   0.042% *  0.0330% (0.34   1.0  1.00   0.02   2.59) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.41 +/- 0.79   0.010% *  0.0269% (0.28   1.0  1.00   0.02   2.59) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.54 +/- 1.58   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.27 +/- 1.53   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.48 +/- 2.12   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.42 +/- 1.00   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  16.69 +/- 3.45   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.66 +/- 2.09   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.93 +/- 1.38   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.70 +/- 1.53   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  23.44 +/- 2.20   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.87 +/- 1.15   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.19 +/- 0.01  99.789% * 98.2489% (1.00  10.0 10.00   4.42 159.81) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.10 +/- 1.44   0.169% *  0.0219% (0.22   1.0  1.00   0.02   1.77) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102   9.75 +/- 2.70   0.031% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.53 +/- 1.49   0.007% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.07 +/- 3.28   0.003% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  23.87 +/- 3.28   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  19.57 +/- 3.79   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.05 +/- 2.03   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.67 +/- 1.35   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.21 +/- 1.60   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  24.28 +/- 3.22   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.98 +/- 1.16   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.21 +/- 0.14  99.273% * 98.4155% (1.00  10.0 10.00   4.42 159.81) =  99.994%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.39 +/- 1.29   0.483% *  0.6760% (0.69   1.0 10.00   0.02   1.77) =   0.003%
        T QE    LYS+  38 - HG2   LYS+ 102  10.97 +/- 2.73   0.244% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.05 +/- 0.76  99.545% * 97.9004% (1.00  10.0 10.00   5.05 159.81) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.61 +/- 0.78   0.214% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  15.86 +/- 1.06   0.010% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  10.99 +/- 1.69   0.095% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.60 +/- 1.26   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.80 +/- 0.37   0.060% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  14.50 +/- 1.55   0.025% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  18.07 +/- 1.54   0.006% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  17.65 +/- 1.86   0.006% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.56 +/- 0.95   0.022% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  22.37 +/- 1.46   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.47 +/- 2.12   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.41 +/- 2.42   0.002% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.67 +/- 1.36   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.58 +/- 1.25   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.07 +/- 1.40   0.003% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.34 +/- 0.87   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.29 +/- 2.01   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.31 +/- 1.38   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.81 +/- 1.23   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  33.34 +/- 1.97   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.71 +/- 1.54   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.49 +/- 1.95   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  30.79 +/- 1.55   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.904, support = 5.14, residual support = 161.8:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.38 +/- 0.18  46.781% * 54.4770% (1.00  10.0 10.00   4.75 159.81) =  52.758%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.33 +/- 0.16  52.514% * 43.4551% (0.80  10.0  1.00   5.58 164.04) =  47.241%  kept
          QB    LYS+  66 - HG3   LYS+  65   6.23 +/- 0.49   0.168% *  0.0305% (0.56   1.0  1.00   0.02  25.52) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.18 +/- 1.52   0.030% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   8.19 +/- 3.25   0.101% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.10 +/- 0.98   0.126% *  0.0186% (0.34   1.0  1.00   0.02  22.16) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.11 +/- 0.90   0.018% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  11.36 +/- 1.41   0.005% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   8.81 +/- 1.89   0.048% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.26 +/- 0.88   0.187% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.71 +/- 1.78   0.005% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  14.84 +/- 1.29   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  17.58 +/- 1.03   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.23 +/- 1.41   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.43 +/- 1.26   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.91 +/- 1.22   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  16.89 +/- 1.98   0.001% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  12.96 +/- 2.15   0.003% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  15.12 +/- 1.60   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.98 +/- 0.91   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  15.31 +/- 1.77   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.32 +/- 2.29   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.60 +/- 2.09   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.99 +/- 1.07   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  19.24 +/- 1.89   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  18.83 +/- 1.97   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.57 +/- 1.63   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.87 +/- 1.24   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.14 +/- 1.42   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  20.62 +/- 3.42   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.66 +/- 2.20   0.001% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.25 +/- 1.34   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.10 +/- 1.22   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.28 +/- 1.06   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.24 +/- 1.79   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.37 +/- 1.24   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.63 +/- 1.68   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.01 +/- 3.51   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.82 +/- 1.57   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.65 +/- 1.98   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 = 4.42, residual support = 159.8:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  96.014% * 96.9231% (1.00  10.0 10.00   4.42 159.81) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   3.84 +/- 1.16   3.835% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HG3   LYS+  65   6.60 +/- 1.12   0.109% *  0.0684% (0.71   1.0  1.00   0.02  25.52) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   8.88 +/- 0.94   0.008% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.07 +/- 1.21   0.007% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.39 +/- 1.45   0.002% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33  10.03 +/- 1.35   0.004% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.18 +/- 1.39   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.54 +/- 1.58   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.81 +/- 1.47   0.003% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.18 +/- 1.20   0.003% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.73 +/- 1.24   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.59 +/- 1.61   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.97 +/- 1.00   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.34 +/- 0.56   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.26 +/- 1.60   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.29 +/- 1.15   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  13.30 +/- 1.74   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.65 +/- 1.55   0.002% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.95 +/- 1.53   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.38 +/- 2.09   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.48 +/- 2.12   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  13.92 +/- 1.60   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.25 +/- 2.95   0.001% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  16.20 +/- 2.02   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.80 +/- 2.55   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.88 +/- 1.37   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.91 +/- 0.85   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.34 +/- 1.92   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.18 +/- 2.47   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  16.62 +/- 2.33   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.02 +/- 2.18   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  20.61 +/- 2.50   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.83 +/- 1.80   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.96 +/- 1.02   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.14 +/- 1.53   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.87 +/- 2.17   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  18.74 +/- 1.31   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.08 +/- 0.83   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  20.34 +/- 4.75   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.87 +/- 1.11   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.78 +/- 1.43   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.83 +/- 1.66   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.60 +/- 1.49   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  26.46 +/- 5.41   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.28 +/- 1.26   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  23.99 +/- 1.53   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  22.14 +/- 4.53   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.33 +/- 1.79   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.25 +/- 1.33   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.41 +/- 1.78   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  26.88 +/- 1.88   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 = 0.776, support = 4.12, residual support = 160.5:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.51 +/- 0.06  28.390% * 63.6907% (1.00  10.0 10.00   4.00 159.81) =  61.048%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.42 +/- 0.13  35.806% * 29.3443% (0.46  10.0 10.00   4.29 164.04) =  35.474%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.44 +/- 0.17  35.590% *  2.8935% (0.05  10.0  1.00   4.63 135.77) =   3.477%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.86 +/- 1.26   0.014% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   7.42 +/- 1.40   0.082% *  0.0142% (0.22   1.0  1.00   0.02   1.77) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  10.14 +/- 2.68   0.016% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  11.05 +/- 1.52   0.006% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  13.11 +/- 3.04   0.005% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.24 +/- 2.37   0.063% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.71 +/- 1.36   0.006% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.05 +/- 1.18   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.15 +/- 1.34   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.33 +/- 1.59   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.27 +/- 1.90   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  17.97 +/- 1.12   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  15.16 +/- 2.98   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.92 +/- 1.48   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  23.65 +/- 3.28   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  19.94 +/- 2.16   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.02 +/- 2.11   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.26 +/- 1.53   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.80 +/- 1.54   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.19 +/- 2.12   0.001% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.40 +/- 1.88   0.002% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.44 +/- 1.62   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.06 +/- 0.81   0.004% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.21 +/- 1.47   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  19.85 +/- 3.43   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.15 +/- 2.24   0.001% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.83 +/- 1.24   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.89 +/- 1.05   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  20.40 +/- 2.12   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  20.23 +/- 1.93   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.28 +/- 1.23   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.88 +/- 1.39   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.28 +/- 1.84   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  21.10 +/- 2.82   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.28 +/- 1.82   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  24.30 +/- 3.61   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.01 +/- 2.33   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  18.89 +/- 2.92   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.61 +/- 1.09   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.88 +/- 1.12   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.48 +/- 2.04   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.49 +/- 2.76   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.38 +/- 2.25   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.18 +/- 1.83   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.32 +/- 1.28   0.000% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.8:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.20 +/- 0.17  99.885% * 94.7812% (1.00  10.0 10.00   4.00 159.81) =  99.999%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   8.80 +/- 1.18   0.044% *  0.6511% (0.69   1.0 10.00   0.02   1.77) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  11.37 +/- 2.77   0.025% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.99 +/- 1.52   0.011% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.66 +/- 1.02   0.018% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.37 +/- 1.53   0.006% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.28 +/- 1.18   0.009% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.18 +/- 1.37   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.75 +/- 0.96   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  20.94 +/- 2.89   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.47 +/- 1.58   0.001% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.22 +/- 1.28   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.83 +/- 0.81  93.908% * 99.0980% (1.00 10.00   5.05 159.81) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.24 +/- 1.59   6.040% *  0.0126% (0.13  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  22.31 +/- 2.94   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.09 +/- 2.21   0.016% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.34 +/- 1.16   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  20.62 +/- 1.54   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.05 +/- 1.28   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  16.88 +/- 1.71   0.007% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  17.27 +/- 1.80   0.003% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.87 +/- 2.68   0.003% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  14.07 +/- 1.79   0.010% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.13 +/- 1.89   0.003% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.43 +/- 2.15   0.003% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.48 +/- 1.26   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.30 +/- 1.52   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.84 +/- 2.18   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.58 +/- 1.80   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.21 +/- 1.80   0.001% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.81, support = 4.82, residual support = 160.9:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.29 +/- 0.33  41.635% * 77.3438% (1.00  10.0 10.00   4.75 159.81) =  74.717%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.13 +/- 0.09  56.855% * 19.1619% (0.25  10.0 10.00   5.05 164.04) =  25.278%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.45 +/- 3.00   1.103% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          HG12  ILE  103 - QD    LYS+ 102   6.34 +/- 0.86   0.152% *  0.0264% (0.34   1.0  1.00   0.02  22.16) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.07 +/- 0.54   0.137% *  0.0134% (0.17   1.0  1.00   0.02  25.52) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.91 +/- 1.45   0.005% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   8.29 +/- 2.01   0.084% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.37 +/- 1.83   0.001% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.09 +/- 1.96   0.003% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.57 +/- 2.25   0.023% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.75 +/- 1.41   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.68 +/- 1.19   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.51 +/- 1.05   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.18 +/- 3.02   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.13 +/- 1.01   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.43 +/- 1.36   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  18.84 +/- 2.99   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.86 +/- 1.34   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.73 +/- 1.13   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.08 +/- 1.85   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  18.19 +/- 1.11   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.52 +/- 1.82   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.88 +/- 2.09   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.79 +/- 2.83   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.47 +/- 1.13   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.48 +/- 2.98   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.35 +/- 1.14   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.23 +/- 1.04   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.83 +/- 1.41   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.55 +/- 1.87   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.19 +/- 0.01  93.935% * 98.4875% (1.00  10.0 10.00   4.42 159.81) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.32 +/- 0.63   4.357% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   6.16 +/- 1.37   1.133% *  0.0079% (0.08   1.0  1.00   0.02   9.08) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   6.06 +/- 1.07   0.391% *  0.0216% (0.22   1.0  1.00   0.02  25.52) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.42 +/- 1.47   0.062% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.89 +/- 1.27   0.009% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.03 +/- 1.27   0.033% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.98 +/- 0.69   0.023% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.52 +/- 1.02   0.033% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.21 +/- 1.30   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.02 +/- 2.18   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.63 +/- 2.26   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.27 +/- 1.70   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.28 +/- 1.45   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.80 +/- 1.85   0.005% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.82 +/- 1.16   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.98 +/- 2.25   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  23.87 +/- 3.28   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.94 +/- 1.47   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.50 +/- 0.97   0.003% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.04 +/- 1.08   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.02 +/- 1.58   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.05 +/- 2.03   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.02 +/- 1.27   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.37 +/- 2.60   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.98 +/- 0.98   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.48 +/- 1.17   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.39 +/- 1.40   0.001% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.28 +/- 1.82   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  20.35 +/- 1.62   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.34 +/- 1.20   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  23.84 +/- 4.46   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  20.87 +/- 2.05   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.31 +/- 1.77   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.17 +/- 2.70   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.12 +/- 1.87   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  22.71 +/- 1.35   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  26.14 +/- 3.72   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.43 +/- 2.22   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.823, support = 4.07, residual support = 160.8:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.51 +/- 0.06  44.378% * 76.0877% (1.00  10.0 10.00   4.00 159.81) =  76.478%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.42 +/- 0.13  55.091% * 18.8507% (0.25  10.0 10.00   4.29 164.04) =  23.521%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.86 +/- 1.26   0.021% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.88 +/- 2.46   0.128% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.88 +/- 1.00   0.163% *  0.0260% (0.34   1.0  1.00   0.02   2.59) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   7.26 +/- 0.99   0.120% *  0.0197% (0.26   1.0  1.00   0.02  28.51) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  13.11 +/- 3.04   0.008% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.12 +/- 1.06   0.066% *  0.0212% (0.28   1.0  1.00   0.02   2.59) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.15 +/- 1.34   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.40 +/- 1.06   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.72 +/- 1.03   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.43 +/- 1.08   0.004% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.80 +/- 1.54   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  19.94 +/- 2.16   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.83 +/- 1.24   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  15.37 +/- 3.08   0.002% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  21.92 +/- 2.11   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.89 +/- 1.21   0.001% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.26 +/- 1.53   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  23.65 +/- 3.28   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  14.79 +/- 1.76   0.002% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  13.03 +/- 1.97   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.44 +/- 1.62   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.95 +/- 1.31   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  17.43 +/- 2.00   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.94 +/- 1.62   0.002% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.80 +/- 1.69   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.80 +/- 1.55   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.61 +/- 1.07   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  20.87 +/- 2.00   0.000% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.91 +/- 1.07   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.32 +/- 1.27   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.37 +/- 2.41   0.000% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.01 +/- 2.33   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.57 +/- 2.31   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.78 +/- 1.57   0.001% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.83 +/- 2.67   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.25 +/- 1.13   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.06 +/- 1.08   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.33 +/- 1.28   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.65 +/- 1.65   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.35 +/- 1.92   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 = 159.8:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.02  99.963% * 97.1326% (1.00  10.0 10.00   4.00 159.81) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.84 +/- 1.08   0.025% *  0.6672% (0.69   1.0 10.00   0.02   1.77) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.07 +/- 2.49   0.010% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.42 +/- 1.18   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  19.49 +/- 2.76   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  20.55 +/- 3.08   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  20.74 +/- 2.33   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.82 +/- 1.15   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  27.67 +/- 2.67   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.25 +/- 0.18  99.560% * 98.6090% (1.00 10.00   5.05 159.81) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.70 +/- 0.50   0.316% *  0.6725% (0.68 10.00   0.02   1.77) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  11.82 +/- 1.97   0.073% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.57 +/- 3.12   0.018% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.32 +/- 0.90   0.005% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.00 +/- 1.50   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.69 +/- 1.07   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  19.58 +/- 3.43   0.015% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.22 +/- 0.79   0.005% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.21 +/- 1.13   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.83 +/- 0.97   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.85 +/- 1.05   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  26.28 +/- 1.64   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.82 +/- 2.32   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.79 +/- 0.97   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.73 +/- 1.77   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  29.22 +/- 2.75   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  32.74 +/- 2.76   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.8:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.62 +/- 0.45  97.635% * 97.3354% (1.00 10.00   4.75 159.81) =  99.994%  kept
        T QB    LYS+ 102 - QE    LYS+  99   6.75 +/- 1.01   0.580% *  0.6638% (0.68 10.00   0.02   1.77) =   0.004%
        T HB    VAL   41 - QE    LYS+  99   7.83 +/- 0.69   0.208% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.34 +/- 0.41   0.874% *  0.0332% (0.34  1.00   0.02  22.16) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.81 +/- 2.18   0.074% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  11.40 +/- 1.10   0.028% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.43 +/- 1.32   0.155% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.00 +/- 1.24   0.034% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.02 +/- 1.64   0.059% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  18.17 +/- 4.71   0.135% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.52 +/- 0.47   0.061% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.11 +/- 2.00   0.057% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  12.08 +/- 3.13   0.064% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.78 +/- 1.21   0.009% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  15.22 +/- 0.93   0.004% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.45 +/- 1.63   0.001% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.00 +/- 0.94   0.003% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.30 +/- 2.05   0.004% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.77 +/- 1.31   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.13 +/- 1.15   0.001% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.02 +/- 1.20   0.007% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.45 +/- 1.14   0.001% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  18.30 +/- 2.48   0.002% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  19.17 +/- 2.63   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  23.99 +/- 0.83   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  19.12 +/- 3.93   0.002% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.15 +/- 1.16   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.67 +/- 1.43   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  26.06 +/- 1.99   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  29.38 +/- 2.04   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 = 0.993, support = 4.37, residual support = 157.4:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.21 +/- 0.14  60.779% * 95.3954% (1.00  10.0 10.00   4.42 159.81) =  98.372%  kept
          HG    LEU   40 - QE    LYS+  99   3.98 +/- 1.37  37.415% *  2.5579% (0.55   1.0  1.00   0.98  11.53) =   1.624%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.39 +/- 1.29   0.281% *  0.6506% (0.68   1.0 10.00   0.02   1.77) =   0.003%
        T HG2   LYS+ 102 - QE    LYS+  38  10.97 +/- 2.73   0.131% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   9.11 +/- 2.08   0.319% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99   8.72 +/- 1.49   0.217% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  15.68 +/- 3.83   0.449% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.40 +/- 1.09   0.031% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  11.91 +/- 2.01   0.040% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.47 +/- 0.87   0.031% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  10.40 +/- 1.62   0.079% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.18 +/- 1.70   0.047% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.52 +/- 2.29   0.036% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  14.20 +/- 3.06   0.050% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.60 +/- 1.11   0.005% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  13.74 +/- 2.56   0.030% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.70 +/- 0.92   0.007% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  15.92 +/- 1.27   0.004% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.11 +/- 1.91   0.008% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.31 +/- 1.74   0.010% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.74 +/- 1.45   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  18.13 +/- 2.08   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.34 +/- 2.10   0.002% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  17.01 +/- 2.37   0.006% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  18.96 +/- 0.97   0.001% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.30 +/- 1.22   0.002% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.23 +/- 0.77   0.001% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.95 +/- 1.15   0.003% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.50 +/- 1.03   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  19.10 +/- 2.43   0.002% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.27 +/- 1.04   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.86 +/- 1.40   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  23.92 +/- 4.84   0.001% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  17.41 +/- 2.26   0.003% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  23.49 +/- 4.25   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  23.05 +/- 1.91   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.93 +/- 1.72   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  26.01 +/- 4.99   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  24.14 +/- 2.27   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.8:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.20 +/- 0.17  99.432% * 93.0940% (1.00  10.0 10.00   4.00 159.81) =  99.999%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   8.80 +/- 1.18   0.043% *  0.6349% (0.68   1.0 10.00   0.02   1.77) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.66 +/- 1.02   0.018% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.28 +/- 1.18   0.009% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  11.37 +/- 2.77   0.025% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.65 +/- 0.43   0.166% *  0.0217% (0.23   1.0  1.00   0.02  18.35) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.37 +/- 1.53   0.006% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   7.24 +/- 0.79   0.102% *  0.0318% (0.34   1.0  1.00   0.02   2.59) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.43 +/- 0.95   0.045% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.99 +/- 1.52   0.011% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.40 +/- 0.86   0.038% *  0.0259% (0.28   1.0  1.00   0.02   2.59) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.26 +/- 0.81   0.045% *  0.0177% (0.19   1.0  1.00   0.02  18.35) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.75 +/- 0.96   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.18 +/- 1.37   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.06 +/- 1.01   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  10.62 +/- 2.16   0.013% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.12 +/- 0.79   0.002% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.28 +/- 0.87   0.016% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.47 +/- 1.58   0.001% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  13.88 +/- 1.99   0.004% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.68 +/- 2.93   0.005% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.22 +/- 1.28   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  20.94 +/- 2.89   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.24 +/- 2.59   0.003% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.74 +/- 1.03   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.68 +/- 1.79   0.005% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  15.58 +/- 2.72   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.93 +/- 1.28   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.36 +/- 1.20   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.25 +/- 1.17   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.63 +/- 1.59   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.63 +/- 0.93   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  20.79 +/- 2.27   0.000% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.10 +/- 0.76   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  16.22 +/- 2.80   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.93 +/- 1.05   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  21.35 +/- 1.50   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  20.35 +/- 3.22   0.001% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.54 +/- 0.89   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  24.50 +/- 2.01   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  28.30 +/- 2.31   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  24.46 +/- 2.34   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 0.00 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.785, support = 4.02, residual support = 170.3:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.02  31.933% * 72.2175% (1.00  10.0 10.00   4.00 159.81) =  74.150%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.10 +/- 0.03  33.350% * 13.2369% (0.18  10.0  1.00   3.74 220.62) =  14.194%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.10 +/- 0.03  33.054% * 10.9650% (0.15  10.0 10.00   4.52 175.58) =  11.653%  kept
          QD    LYS+  38 - QE    LYS+  99   6.08 +/- 1.90   1.389% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - QE    LYS+  38   7.29 +/- 2.47   0.222% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   8.84 +/- 1.08   0.008% *  0.4925% (0.68   1.0 10.00   0.02   1.77) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.04 +/- 1.23   0.016% *  0.1608% (0.22   1.0 10.00   0.02   1.77) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.58 +/- 1.33   0.006% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.75 +/- 1.64   0.005% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.07 +/- 2.49   0.003% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.68 +/- 2.29   0.003% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99   9.81 +/- 1.86   0.005% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  11.77 +/- 2.80   0.003% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.42 +/- 1.18   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  20.55 +/- 3.08   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  13.94 +/- 2.37   0.001% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  20.74 +/- 2.33   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.19 +/- 1.23   0.001% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  19.49 +/- 2.76   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.82 +/- 1.15   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  18.43 +/- 2.73   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.08 +/- 1.88   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.17 +/- 2.69   0.001% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.99 +/- 1.22   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  19.96 +/- 1.34   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.57 +/- 1.59   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  21.73 +/- 3.30   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  18.93 +/- 3.58   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.98 +/- 0.80   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  17.56 +/- 2.61   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  20.90 +/- 1.05   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  22.29 +/- 2.44   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  27.67 +/- 2.67   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  25.57 +/- 3.09   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  26.14 +/- 1.95   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  26.76 +/- 1.85   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 = 0.712, support = 5.78, residual support = 135.7:
    * O T HB    ILE  103 - HA    ILE  103   2.95 +/- 0.03  25.534% * 82.5223% (1.00  10.0 10.00   5.66 135.69) =  64.069%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.46 +/- 0.22  72.359% * 16.3310% (0.20  10.0 10.00   5.98 135.69) =  35.930%  kept
          QB    LYS+ 106 - HA    ILE  103   6.45 +/- 0.32   0.247% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.01 +/- 0.41   0.153% *  0.0818% (0.99   1.0  1.00   0.02   3.89) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.73 +/- 0.33   1.629% *  0.0068% (0.08   1.0  1.00   0.02  28.84) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.64 +/- 0.54   0.043% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.59 +/- 0.64   0.002% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.19 +/- 1.50   0.013% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.40 +/- 0.73   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  12.69 +/- 1.24   0.005% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  17.62 +/- 2.91   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.58 +/- 1.21   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  16.73 +/- 2.43   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.30 +/- 1.24   0.002% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  16.64 +/- 3.62   0.002% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.23 +/- 0.64   0.003% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.44 +/- 1.13   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  23.86 +/- 2.45   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  24.15 +/- 1.10   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  21.87 +/- 1.22   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.37 +/- 1.27   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.18 +/- 1.46   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.37 +/- 1.44   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  27.76 +/- 1.96   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  30.70 +/- 0.78   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.98 +/- 1.50   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.947, support = 5.3, residual support = 135.7:
    * O T QG2   ILE  103 - HA    ILE  103   2.75 +/- 0.08  78.351% * 68.5552% (1.00  10.0 10.00   5.34 135.69) =  90.468%  kept
        T QD1   ILE  103 - HA    ILE  103   3.58 +/- 0.35  18.409% * 30.7355% (0.45   1.0 10.00   4.92 135.69) =   9.530%  kept
          QD2   LEU   40 - HA    ILE  103   5.26 +/- 0.44   1.767% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    THR   39   5.81 +/- 0.27   0.953% *  0.0219% (0.32   1.0  1.00   0.02  24.15) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.11 +/- 0.84   0.353% *  0.0128% (0.19   1.0  1.00   0.02   0.21) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.46 +/- 0.60   0.009% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.88 +/- 0.95   0.096% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.90 +/- 1.96   0.019% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.76 +/- 0.78   0.008% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.77 +/- 1.57   0.018% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.58 +/- 1.35   0.006% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.03 +/- 1.13   0.003% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.07 +/- 0.68   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.78 +/- 1.91   0.004% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.01 +/- 0.95   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.25 +/- 0.74   0.001% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.563, support = 5.14, residual support = 135.7:
      O T QG2   ILE  103 - HA    ILE  103   2.75 +/- 0.08  78.354% * 21.1374% (0.25  10.0 10.00   5.34 135.69) =  53.480%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.58 +/- 0.35  18.410% * 78.2519% (0.92   1.0 10.00   4.92 135.69) =  46.519%  kept
          QD2   LEU   40 - HA    ILE  103   5.26 +/- 0.44   1.767% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    THR   39   7.11 +/- 0.84   0.353% *  0.0234% (0.28   1.0  1.00   0.02   0.21) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.81 +/- 0.27   0.953% *  0.0043% (0.05   1.0  1.00   0.02  24.15) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.76 +/- 0.78   0.008% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.77 +/- 1.57   0.018% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.46 +/- 0.60   0.009% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.58 +/- 1.35   0.006% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.88 +/- 0.95   0.096% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.90 +/- 1.96   0.019% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.78 +/- 1.91   0.004% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.07 +/- 0.68   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.01 +/- 0.95   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 135.7:
    * O T HA    ILE  103 - HB    ILE  103   2.95 +/- 0.03  99.979% * 98.6567% (1.00  10.0 10.00   5.66 135.69) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.59 +/- 0.64   0.007% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  13.79 +/- 0.92   0.010% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  20.88 +/- 1.72   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  24.10 +/- 2.75   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  21.57 +/- 3.70   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  25.30 +/- 1.66   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.66 +/- 1.35   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.90 +/- 1.54   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  33.41 +/- 2.02   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.96 +/- 1.12   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  31.42 +/- 1.54   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.877, support = 4.19, residual support = 135.7:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  60.877% * 68.8462% (1.00  10.0 10.00   4.04 135.69) =  77.647%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.32 +/- 0.25  39.090% * 30.8659% (0.45  10.0 10.00   4.73 135.69) =  22.353%  kept
          QD2   LEU   40 - HB    ILE  103   7.67 +/- 0.43   0.030% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.16 +/- 1.98   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.96 +/- 1.55   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.15 +/- 1.27   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.19 +/- 1.26   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.84 +/- 0.90   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 = 0.724, support = 4.52, residual support = 135.7:
    * O T QD1   ILE  103 - HB    ILE  103   2.32 +/- 0.25  39.091% * 78.5650% (0.92  10.0 10.00   4.73 135.69) =  70.389%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  60.877% * 21.2220% (0.25  10.0 10.00   4.04 135.69) =  29.611%  kept
          QD2   LEU   40 - HB    ILE  103   7.67 +/- 0.43   0.030% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.96 +/- 1.55   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.19 +/- 1.26   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.16 +/- 1.98   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.84 +/- 0.90   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 135.7:
    * O T HA    ILE  103 - QG2   ILE  103   2.75 +/- 0.08  99.942% * 98.6567% (1.00  10.0 10.00   5.34 135.69) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.46 +/- 0.60   0.012% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103  10.43 +/- 0.80   0.037% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  16.75 +/- 1.31   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  19.79 +/- 2.09   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.56 +/- 1.15   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  17.98 +/- 2.93   0.002% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  20.75 +/- 1.24   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.95 +/- 1.27   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  28.05 +/- 1.60   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.27 +/- 0.94   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.20 +/- 1.26   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.985, support = 4.06, residual support = 135.7:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  87.355% * 82.9317% (1.00  10.0 10.00   4.04 135.69) =  98.139%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.17 +/- 0.15   8.351% * 16.4121% (0.20  10.0 10.00   5.32 135.69) =   1.857%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.86 +/- 0.68   3.731% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QG2   ILE  103   4.99 +/- 0.30   0.556% *  0.0822% (0.99   1.0  1.00   0.02   3.89) =   0.001%
          HG3   PRO   68 - QG2   ILE  103  16.18 +/- 2.79   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.25 +/- 0.62   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.14 +/- 1.79   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.15 +/- 0.98   0.002% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.48 +/- 1.15   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  16.99 +/- 1.26   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  19.12 +/- 0.97   0.000% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  19.79 +/- 1.94   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.61 +/- 1.30   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.92, residual support = 135.7:
    *   T HA    ILE  103 - QD1   ILE  103   3.58 +/- 0.35  99.550% * 98.6567% (0.92 10.00   4.92 135.69) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.76 +/- 0.78   0.052% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103   9.83 +/- 1.15   0.314% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  15.23 +/- 1.53   0.023% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  17.86 +/- 2.19   0.009% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  15.83 +/- 2.93   0.027% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  18.99 +/- 1.50   0.006% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.78 +/- 1.57   0.013% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.71 +/- 1.52   0.003% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.82 +/- 1.81   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  22.13 +/- 1.14   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  26.01 +/- 1.45   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.752, support = 4.7, residual support = 135.7:
    * O T HB    ILE  103 - QD1   ILE  103   2.32 +/- 0.25  38.743% * 82.9317% (0.92  10.0 10.00   4.73 135.69) =  76.958%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.02  58.606% * 16.4121% (0.18  10.0 10.00   4.62 135.69) =  23.038%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.32 +/- 0.88   2.599% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD1   ILE  103   7.37 +/- 0.64   0.047% *  0.0822% (0.91   1.0  1.00   0.02   3.89) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.17 +/- 0.88   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.36 +/- 2.44   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.28 +/- 1.11   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.10 +/- 1.39   0.001% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  17.97 +/- 2.12   0.000% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  16.12 +/- 1.95   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  17.96 +/- 1.37   0.000% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.03 +/- 1.39   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.65 +/- 1.74   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 220.7:
    * O T HB2   LEU  104 - HA    LEU  104   2.98 +/- 0.13  99.909% * 99.7433% (0.87  10.0 10.00   5.98 220.68) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.66 +/- 0.41   0.051% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.43 +/- 1.55   0.029% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.91 +/- 1.03   0.011% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.53 +/- 1.47   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 220.7:
    * O T HB3   LEU  104 - HA    LEU  104   2.45 +/- 0.16  99.944% * 99.4463% (0.76  10.0 10.00   5.31 220.68) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.35 +/- 1.08   0.024% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  11.65 +/- 2.01   0.014% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  13.46 +/- 2.19   0.013% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.90 +/- 0.90   0.003% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.34 +/- 1.20   0.001% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.87, residual support = 220.7:
    * O T HG    LEU  104 - HA    LEU  104   3.37 +/- 0.34  96.548% * 99.5259% (1.00  10.0 10.00   5.87 220.68) =  99.997%  kept
          HB3   LYS+ 121 - HA    LEU  104   7.96 +/- 2.49   2.184% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU  104   8.47 +/- 2.55   1.227% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  15.99 +/- 2.77   0.018% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.20 +/- 2.48   0.012% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.79 +/- 0.93   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.20 +/- 1.70   0.004% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.04 +/- 0.92   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.13 +/- 1.09   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 220.7:
    *   T QD1   LEU  104 - HA    LEU  104   3.58 +/- 0.41  99.711% * 98.8828% (0.96 10.00   5.31 220.68) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.99 +/- 1.05   0.160% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.00 +/- 0.93   0.056% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  12.99 +/- 0.87   0.053% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  18.83 +/- 2.76   0.007% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  21.12 +/- 4.47   0.005% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  17.97 +/- 1.24   0.007% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 6.07, residual support = 220.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.18 +/- 0.47  99.602% * 98.7440% (1.00 10.00   6.07 220.68) =  99.999%  kept
        T QD1   LEU   98 - HA    LEU  104   6.39 +/- 0.46   0.348% *  0.3048% (0.31 10.00   0.02   6.58) =   0.001%
        T QG1   VAL   41 - HA    LEU  104   9.58 +/- 0.96   0.029% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.34 +/- 0.90   0.001% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.37 +/- 0.66   0.018% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.49 +/- 1.33   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.82 +/- 0.72   0.000% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 220.7:
    * O T HA    LEU  104 - HB2   LEU  104   2.98 +/- 0.13  99.998% * 99.7454% (0.87  10.0 10.00   5.98 220.68) = 100.000%  kept
          HA    GLU-  14 - HB2   LEU  104  23.01 +/- 1.44   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  25.48 +/- 3.17   0.000% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  24.01 +/- 2.18   0.000% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.63 +/- 1.80   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.41, residual support = 220.7:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.959% * 99.4463% (0.66  10.0 10.00   5.41 220.68) = 100.000%  kept
          QD1   LEU   71 - HB2   LEU  104  11.61 +/- 2.43   0.021% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU  104   8.22 +/- 1.02   0.013% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104   9.79 +/- 2.01   0.005% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.11 +/- 1.03   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.21 +/- 1.28   0.000% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 220.7:
    * O T HG    LEU  104 - HB2   LEU  104   2.44 +/- 0.27  95.002% * 99.5259% (0.87  10.0 10.00   6.00 220.68) =  99.995%  kept
          HB3   LYS+ 121 - HB2   LEU  104   6.51 +/- 2.63   4.423% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HB2   LEU  104   6.95 +/- 2.47   0.558% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  13.64 +/- 2.74   0.010% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.26 +/- 2.54   0.003% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.39 +/- 0.95   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.72 +/- 1.94   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.26 +/- 1.19   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.57 +/- 0.99   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.41, residual support = 220.7:
    * O T QD1   LEU  104 - HB2   LEU  104   2.56 +/- 0.18  99.872% * 98.8828% (0.84  10.0 10.00   5.41 220.68) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.82 +/- 1.20   0.092% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.51 +/- 1.04   0.015% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.40 +/- 1.13   0.017% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  17.99 +/- 2.70   0.001% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  19.89 +/- 4.46   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  17.01 +/- 1.26   0.001% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 220.7:
    * O T QD2   LEU  104 - HB2   LEU  104   3.03 +/- 0.29  97.926% * 99.0156% (0.87  10.0 10.00   6.26 220.68) =  99.999%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.31 +/- 0.99   0.354% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB2   LEU  104   6.32 +/- 0.59   1.526% *  0.0306% (0.27   1.0  1.00   0.02   6.58) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.09 +/- 1.07   0.012% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB2   LEU  104   9.10 +/- 0.75   0.172% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.60 +/- 1.45   0.007% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  17.12 +/- 0.85   0.004% *  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 = 220.7:
    * O T HA    LEU  104 - HB3   LEU  104   2.45 +/- 0.16 100.000% * 99.7454% (0.76  10.0 10.00   5.31 220.68) = 100.000%  kept
          HA    GLU-  14 - HB3   LEU  104  23.87 +/- 1.34   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  26.74 +/- 3.04   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  25.21 +/- 1.99   0.000% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.33 +/- 1.75   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.41, residual support = 220.7:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.994% * 99.7433% (0.66  10.0 10.00   5.41 220.68) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.99 +/- 0.53   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.01 +/- 1.67   0.003% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  12.10 +/- 1.07   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.63 +/- 1.41   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 220.7:
    * O T HG    LEU  104 - HB3   LEU  104   2.89 +/- 0.19  90.177% * 99.5259% (0.76  10.0 10.00   5.28 220.68) =  99.992%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.28 +/- 2.49   6.012% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HB3   LEU  104   6.81 +/- 2.58   3.781% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  13.96 +/- 2.79   0.020% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  15.82 +/- 2.31   0.005% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.80 +/- 1.17   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.72 +/- 1.81   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.15 +/- 1.12   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.73 +/- 0.89   0.001% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 220.7:
    * O T QD1   LEU  104 - HB3   LEU  104   2.25 +/- 0.28  99.964% * 98.8828% (0.74  10.0 10.00   5.00 220.68) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.69 +/- 1.01   0.023% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.72 +/- 1.01   0.004% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  11.88 +/- 1.13   0.007% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  19.19 +/- 2.64   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  21.13 +/- 4.31   0.000% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  18.15 +/- 1.11   0.001% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 220.7:
    * O T QD2   LEU  104 - HB3   LEU  104   2.70 +/- 0.27  99.500% * 99.0156% (0.76  10.0 10.00   5.50 220.68) = 100.000%  kept
        T QG1   VAL   41 - HB3   LEU  104   9.25 +/- 0.89   0.081% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   7.21 +/- 0.47   0.372% *  0.0306% (0.24   1.0  1.00   0.02   6.58) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.17 +/- 0.91   0.004% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.34 +/- 0.56   0.039% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.63 +/- 1.48   0.003% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  18.32 +/- 0.74   0.001% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.87, residual support = 220.7:
    * O T HA    LEU  104 - HG    LEU  104   3.37 +/- 0.34  99.996% * 99.7454% (1.00  10.0 10.00   5.87 220.68) = 100.000%  kept
          HA    GLU-  14 - HG    LEU  104  22.49 +/- 1.24   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  25.76 +/- 3.13   0.001% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  24.61 +/- 2.12   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.81 +/- 1.64   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 220.7:
    * O T HB2   LEU  104 - HG    LEU  104   2.44 +/- 0.27  99.972% * 99.7433% (0.87  10.0 10.00   6.00 220.68) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.48 +/- 0.54   0.011% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.07 +/- 1.90   0.010% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  12.70 +/- 1.33   0.007% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.18 +/- 1.46   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 220.7:
    * O T HB3   LEU  104 - HG    LEU  104   2.89 +/- 0.19  99.454% * 99.4463% (0.76  10.0 10.00   5.28 220.68) =  99.999%  kept
          QG1   VAL   70 - HG    LEU  104   8.01 +/- 0.97   0.312% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  10.96 +/- 1.89   0.150% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  11.12 +/- 2.27   0.054% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  12.22 +/- 0.96   0.022% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.42 +/- 1.19   0.008% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 220.7:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.977% * 98.8828% (0.97  10.0 10.00   5.28 220.68) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.03 +/- 1.37   0.014% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.03 +/- 1.09   0.006% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.12 +/- 1.37   0.002% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  18.08 +/- 2.71   0.000% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  19.96 +/- 4.59   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  17.73 +/- 1.25   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 = 6.03, residual support = 220.7:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.432% * 99.0156% (1.00  10.0 10.00   6.03 220.68) = 100.000%  kept
        T QG1   VAL   41 - HG    LEU  104   7.18 +/- 1.09   0.100% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.47 +/- 0.60   0.446% *  0.0306% (0.31   1.0  1.00   0.02   6.58) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.02 +/- 0.82   0.020% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  14.47 +/- 1.02   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.04 +/- 1.41   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.80 +/- 1.04   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 220.7:
    *   T HA    LEU  104 - QD1   LEU  104   3.58 +/- 0.41  99.652% * 99.2875% (0.96 10.00   5.31 220.68) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.99 +/- 1.05   0.160% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.00 +/- 0.93   0.055% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  13.81 +/- 1.10   0.041% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.34 +/- 1.37   0.007% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  15.59 +/- 1.82   0.021% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.93 +/- 1.40   0.017% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.83 +/- 1.67   0.003% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  16.00 +/- 1.87   0.020% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  22.94 +/- 2.74   0.002% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  21.95 +/- 1.83   0.002% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  17.69 +/- 1.27   0.008% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  20.21 +/- 2.06   0.004% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  18.84 +/- 1.64   0.006% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.68 +/- 1.36   0.003% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.737, support = 5.28, residual support = 215.3:
    * O T HB2   LEU  104 - QD1   LEU  104   2.56 +/- 0.18  20.833% * 90.5240% (0.84  10.0 10.00   5.41 220.68) =  87.285%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  60.541% *  3.3661% (0.03  10.0 10.00   5.64 240.22) =   9.432%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.51 +/- 1.25  15.250% *  4.6474% (0.10   1.0 10.00   0.85   0.25) =   3.280%  kept
          QG2   VAL  108 - QD1   LEU   63   8.07 +/- 1.88   3.318% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   ILE  119 - QD1   LEU  104   9.79 +/- 1.57   0.009% *  0.5908% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   8.82 +/- 1.20   0.017% *  0.1667% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.30 +/- 1.22   0.006% *  0.1828% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.51 +/- 1.04   0.003% *  0.1667% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.45 +/- 0.51   0.004% *  0.1007% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.30 +/- 1.41   0.002% *  0.1088% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.44 +/- 1.89   0.010% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.00 +/- 1.18   0.002% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.00 +/- 1.11   0.004% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.82 +/- 1.22   0.000% *  0.0549% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.49 +/- 1.56   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 = 0.711, support = 5.04, residual support = 221.4:
    * O T HB3   LEU  104 - QD1   LEU  104   2.25 +/- 0.28  66.098% * 89.6045% (0.74  10.0 10.00   5.00 220.68) =  96.076%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.64 +/- 0.27  27.223% *  8.8779% (0.07  10.0 10.00   5.92 240.22) =   3.921%  kept
          QD1   LEU   71 - QD1   LEU   63   9.37 +/- 2.51   2.712% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   5.16 +/- 1.42   2.266% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.08 +/- 1.27   0.340% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU  104   9.21 +/- 2.00   0.182% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.28 +/- 1.75   0.536% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   5.81 +/- 0.54   0.257% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.39 +/- 2.00   0.039% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.95 +/- 0.90   0.009% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.70 +/- 0.96   0.166% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.32 +/- 1.40   0.126% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.69 +/- 1.01   0.010% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.42 +/- 1.04   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.57 +/- 0.48   0.021% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.72 +/- 1.01   0.002% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.34 +/- 1.29   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.68 +/- 1.65   0.002% *  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 = 5.28, residual support = 220.7:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  96.781% * 98.9901% (0.97  10.0 10.00   5.28 220.68) =  99.998%  kept
          HB3   LYS+ 121 - QD1   LEU  104   6.39 +/- 2.24   1.656% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD1   LEU  104   6.84 +/- 2.08   0.339% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.86 +/- 0.42   0.758% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.03 +/- 1.37   0.013% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.27 +/- 0.99   0.095% *  0.0125% (0.12   1.0  1.00   0.02   5.49) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   8.12 +/- 1.57   0.063% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.03 +/- 1.09   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  11.25 +/- 2.18   0.013% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.96 +/- 1.44   0.033% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   7.51 +/- 1.32   0.084% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.72 +/- 1.22   0.072% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.72 +/- 1.88   0.018% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.92 +/- 0.50   0.018% *  0.0176% (0.17   1.0  1.00   0.02  40.74) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.23 +/- 0.82   0.041% *  0.0045% (0.04   1.0  1.00   0.02   1.46) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  14.91 +/- 2.04   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.95 +/- 1.63   0.002% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.44 +/- 0.95   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.82 +/- 0.80   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.06 +/- 1.67   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.54 +/- 0.93   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.03 +/- 0.84   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  13.20 +/- 1.18   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.36 +/- 1.66   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.75 +/- 0.98   0.001% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.05 +/- 1.54   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  16.05 +/- 2.00   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 220.7:
    * O T QD2   LEU  104 - QD1   LEU  104   2.07 +/- 0.05  77.371% * 98.3006% (0.97  10.0 10.00   5.53 220.68) =  99.996%  kept
        T QG1   VAL   41 - QD1   LEU   73   4.22 +/- 0.94   4.346% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU   73   3.01 +/- 0.72  17.084% *  0.0062% (0.06   1.0  1.00   0.02   8.05) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.55 +/- 0.79   0.119% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.54 +/- 1.17   0.209% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.87 +/- 0.68   0.254% *  0.0303% (0.30   1.0  1.00   0.02   6.58) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   5.41 +/- 0.67   0.337% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.03 +/- 0.59   0.056% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.47 +/- 1.25   0.012% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.16 +/- 0.92   0.006% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.22 +/- 0.95   0.002% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.53 +/- 0.68   0.017% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.20 +/- 1.06   0.013% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.78 +/- 0.86   0.076% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.63 +/- 1.09   0.048% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.78 +/- 1.51   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.81 +/- 0.61   0.014% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   9.30 +/- 1.08   0.012% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.99 +/- 1.69   0.006% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.73 +/- 1.65   0.014% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.51 +/- 0.85   0.000% *  0.0675% (0.66   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 6.07, residual support = 220.7:
    *   T HA    LEU  104 - QD2   LEU  104   2.18 +/- 0.47  99.941% * 99.4871% (1.00 10.00   6.07 220.68) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   9.58 +/- 0.96   0.029% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.63 +/- 0.64   0.018% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.34 +/- 0.90   0.001% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.90 +/- 1.36   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  22.11 +/- 2.76   0.000% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.52 +/- 0.87   0.002% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  21.13 +/- 2.06   0.000% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.35 +/- 1.65   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.15 +/- 1.29   0.003% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  19.63 +/- 0.94   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.58 +/- 1.42   0.001% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  19.40 +/- 0.75   0.001% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  19.01 +/- 2.09   0.001% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  19.13 +/- 1.62   0.001% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 220.7:
    * O T HB2   LEU  104 - QD2   LEU  104   3.03 +/- 0.29  98.515% * 99.4846% (0.87  10.0 10.00   6.26 220.68) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.31 +/- 0.99   0.358% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.17 +/- 0.48   0.076% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  10.99 +/- 1.29   0.070% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.19 +/- 1.88   0.190% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   9.12 +/- 1.07   0.223% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.09 +/- 1.07   0.012% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.23 +/- 1.12   0.399% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  11.89 +/- 1.33   0.031% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.58 +/- 1.06   0.043% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.21 +/- 1.46   0.038% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.56 +/- 1.28   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  15.91 +/- 1.79   0.007% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.84 +/- 1.08   0.035% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.43 +/- 1.31   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.488, support = 4.84, residual support = 157.5:
    * O T HB3   LEU  104 - QD2   LEU  104   2.70 +/- 0.27  18.074% * 83.3286% (0.76  10.0 10.00   5.50 220.68) =  55.903%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.04  79.063% * 15.0261% (0.14  10.0 10.00   4.00  77.43) =  44.096%  kept
          QD1   LEU   71 - QG1   VAL   41   4.83 +/- 1.36   2.290% *  0.0058% (0.05   1.0  1.00   0.02   3.03) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.63 +/- 1.28   0.057% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.14 +/- 1.76   0.040% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.22 +/- 1.32   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.10 +/- 1.34   0.083% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   8.48 +/- 1.21   0.024% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   6.71 +/- 1.11   0.169% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.90 +/- 1.68   0.009% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.39 +/- 0.86   0.048% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.30 +/- 0.49   0.113% *  0.0057% (0.05   1.0  1.00   0.02   2.72) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.25 +/- 0.89   0.011% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.57 +/- 1.05   0.003% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.09 +/- 1.74   0.005% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.17 +/- 0.91   0.001% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.23 +/- 1.93   0.003% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.38 +/- 0.74   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 = 6.03, residual support = 220.7:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  91.949% * 99.1828% (1.00  10.0 10.00   6.03 220.68) =  99.998%  kept
          HD3   LYS+  74 - QG2   VAL   18   4.04 +/- 0.98   6.136% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.001%
          HG2   LYS+  65 - QG2   VAL   18   6.19 +/- 1.66   1.216% *  0.0449% (0.04   1.0  1.00   0.24   0.02) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   7.53 +/- 2.09   0.135% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   7.18 +/- 1.09   0.095% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.00 +/- 2.01   0.071% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.84 +/- 1.45   0.297% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.10 +/- 2.26   0.003% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  14.47 +/- 1.02   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.56 +/- 0.72   0.013% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.20 +/- 2.13   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.68 +/- 0.44   0.020% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.31 +/- 1.45   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.43 +/- 1.26   0.042% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.30 +/- 1.22   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.67 +/- 2.33   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.04 +/- 0.89   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.89 +/- 1.60   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.85 +/- 1.23   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.71 +/- 1.12   0.002% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  15.91 +/- 1.36   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.30 +/- 1.27   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.05 +/- 1.10   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.57 +/- 1.78   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.83 +/- 2.10   0.003% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.88 +/- 1.83   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.63 +/- 1.01   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 220.7:
    * O T QD1   LEU  104 - QD2   LEU  104   2.07 +/- 0.05  94.063% * 98.4528% (0.97  10.0 10.00   5.53 220.68) =  99.998%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.22 +/- 0.94   5.377% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG2   VAL   18   6.54 +/- 1.17   0.271% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.55 +/- 0.79   0.138% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.47 +/- 1.25   0.015% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.03 +/- 0.59   0.070% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.16 +/- 0.92   0.009% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.22 +/- 0.95   0.003% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.20 +/- 1.06   0.016% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  11.76 +/- 0.89   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.80 +/- 1.92   0.008% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.41 +/- 1.39   0.008% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  15.83 +/- 2.30   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.75 +/- 1.05   0.003% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  17.55 +/- 3.69   0.000% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  12.83 +/- 3.49   0.004% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  12.00 +/- 1.80   0.004% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.32 +/- 0.52   0.004% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  15.60 +/- 1.11   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.39 +/- 1.09   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  13.37 +/- 0.69   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 = 42.6:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.74 +/- 0.25  99.679% * 99.5527% (0.95  10.0 10.00   3.18  42.57) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.65 +/- 1.15   0.272% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.72 +/- 1.10   0.036% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.12 +/- 0.95   0.004% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  14.47 +/- 1.04   0.005% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.48 +/- 1.31   0.002% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.75 +/- 0.86   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.11 +/- 1.16   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.54 +/- 1.18   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.18, residual support = 42.6:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.74 +/- 0.25  99.999% * 99.7814% (0.95  10.0 10.00   3.18  42.57) = 100.000%  kept
          HB    THR   23 - HB2   ASP- 105  23.58 +/- 1.39   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  21.45 +/- 1.50   0.001% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP- 105  25.10 +/- 2.84   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.25 +/- 1.18   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.20 +/- 0.13  98.717% * 99.1664% (1.00  10.0 10.00   6.31 135.77) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.81 +/- 0.53   1.224% *  0.0860% (0.87   1.0  1.00   0.02  21.80) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.09 +/- 0.79   0.046% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  11.61 +/- 1.12   0.006% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.47 +/- 0.79   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  17.55 +/- 2.66   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.93 +/- 0.64   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.44 +/- 0.92   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  19.12 +/- 0.73   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.09 +/- 1.20   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.13 +/- 0.94   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  21.68 +/- 1.76   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.86 +/- 1.05   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 135.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.66 +/- 0.58  99.210% * 98.2431% (1.00  10.0 10.00   5.02 135.77) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106   9.65 +/- 2.32   0.753% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  20.09 +/- 1.73   0.005% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  21.49 +/- 1.64   0.004% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  15.02 +/- 1.07   0.029% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 135.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.99 +/- 0.31  97.227% * 98.5750% (1.00 10.00   4.80 135.77) =  99.996%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.48 +/- 0.71   0.215% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   8.99 +/- 1.06   1.036% *  0.0480% (0.49  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HA    LYS+ 106  11.88 +/- 2.32   0.475% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  11.89 +/- 0.84   0.166% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  11.66 +/- 1.47   0.251% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.92 +/- 0.66   0.267% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.36 +/- 1.39   0.101% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.86 +/- 1.01   0.176% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  13.58 +/- 1.91   0.084% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.972, support = 5.06, residual support = 123.1:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.44 +/- 0.39  53.092% * 88.5224% (1.00 10.00   5.23 135.77) =  89.893%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.59 +/- 0.66  46.676% * 11.3211% (0.73  1.00   3.52   9.99) =  10.107%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.59 +/- 1.38   0.192% *  0.0837% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.26 +/- 0.79   0.031% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  18.83 +/- 1.46   0.009% *  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   2.20 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.77) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.32, residual support = 135.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.33 +/- 0.13  99.907% * 98.2431% (1.00  10.0 10.00   5.32 135.77) = 100.000%  kept
          HB3   LYS+ 111 - QB    LYS+ 106   8.89 +/- 2.18   0.089% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.36 +/- 1.88   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+ 106  18.72 +/- 1.62   0.000% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.20 +/- 1.23   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 135.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.15  99.853% * 97.1433% (1.00  10.0 10.00   5.08 135.77) =  99.999%  kept
        T HD2   LYS+ 111 - QB    LYS+ 106  10.47 +/- 2.34   0.035% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QB    LYS+ 106   8.95 +/- 1.04   0.033% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.05 +/- 0.79   0.009% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.25 +/- 0.92   0.013% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  13.99 +/- 1.72   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  10.72 +/- 1.30   0.018% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.40 +/- 1.47   0.005% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.53 +/- 0.87   0.012% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.23 +/- 1.03   0.018% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 5.38, residual support = 131.9:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.98 +/- 0.61  93.132% * 69.7522% (1.00 10.00   5.51 135.77) =  96.944%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.10 +/- 0.74   6.797% * 30.1244% (0.73 10.00   1.19   9.99) =   3.056%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.62 +/- 1.35   0.053% *  0.0660% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  13.71 +/- 1.15   0.015% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  16.86 +/- 1.53   0.004% *  0.0094% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 135.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.66 +/- 0.58  99.991% * 99.1803% (1.00  10.0 10.00   5.02 135.77) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.09 +/- 1.73   0.005% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  21.49 +/- 1.64   0.004% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.71, support = 5.42, residual support = 134.6:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.33 +/- 0.13  25.040% * 54.3218% (1.00  10.0 10.00   5.32 135.77) =  49.332%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.31 +/- 0.11  26.324% * 31.1646% (0.57  10.0 10.00   5.68 149.94) =  29.753%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.07 +/- 0.02  48.354% * 11.9258% (0.22  10.0 10.00   5.29 110.14) =  20.914%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.25 +/- 0.57   0.080% *  0.0471% (0.87   1.0  1.00   0.02  21.80) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.69 +/- 1.44   0.079% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.10 +/- 0.92   0.110% *  0.0135% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.90 +/- 1.24   0.006% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.10 +/- 1.27   0.003% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.04 +/- 1.22   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.36 +/- 1.88   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.04 +/- 1.26   0.001% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  22.41 +/- 2.24   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  18.72 +/- 1.62   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.56 +/- 1.31   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.49 +/- 2.86   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.04 +/- 2.25   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.06 +/- 3.12   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.81 +/- 2.19   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  20.02 +/- 1.49   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.90 +/- 1.49   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.85 +/- 1.53   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.34 +/- 1.47   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.94 +/- 1.98   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.55 +/- 1.71   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.67 +/- 1.94   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.66 +/- 1.79   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.85 +/- 1.38   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.83 +/- 1.42   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.90 +/- 2.40   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.18 +/- 1.91   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  24.24 +/- 2.42   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.28 +/- 1.52   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.37 +/- 2.18   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  25.26 +/- 1.72   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.17 +/- 1.74   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  29.35 +/- 1.28   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  27.16 +/- 2.02   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  29.59 +/- 2.70   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.39 +/- 1.40   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 135.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  99.885% * 96.6493% (1.00  10.0 10.00   4.10 135.77) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  12.19 +/- 0.80   0.005% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  12.36 +/- 3.40   0.034% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.63 +/- 2.05   0.004% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.78 +/- 1.77   0.016% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.67 +/- 1.54   0.019% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  11.33 +/- 1.27   0.009% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.56 +/- 2.61   0.001% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.14 +/- 1.35   0.003% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.79 +/- 0.91   0.007% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  13.66 +/- 1.56   0.003% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.38 +/- 1.54   0.001% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  15.79 +/- 2.29   0.002% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.01 +/- 2.23   0.004% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  19.84 +/- 1.91   0.000% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  14.79 +/- 1.54   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  16.27 +/- 1.66   0.001% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.45 +/- 1.51   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  25.91 +/- 1.94   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  16.66 +/- 1.31   0.001% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.54 +/- 1.56   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.79 +/- 1.53   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.19 +/- 1.78   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.48 +/- 3.05   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  23.71 +/- 2.62   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  26.02 +/- 2.42   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.97 +/- 2.91   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  26.76 +/- 2.10   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  25.22 +/- 2.25   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  30.18 +/- 1.39   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 135.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.79 +/- 0.33  98.109% * 98.7341% (1.00  10.0 10.00   4.52 135.77) =  99.999%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.11 +/- 0.84   1.488% *  0.0717% (0.73   1.0  1.00   0.02   9.99) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.63 +/- 0.85   0.334% *  0.0081% (0.08   1.0  1.00   0.02   1.35) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.52 +/- 0.82   0.044% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.57 +/- 2.24   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.62 +/- 1.82   0.007% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.75 +/- 1.46   0.003% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  20.41 +/- 2.23   0.001% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  14.84 +/- 2.56   0.007% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.37 +/- 1.60   0.002% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.28 +/- 1.77   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  18.18 +/- 1.25   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.17 +/- 1.67   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  23.41 +/- 1.97   0.000% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.75 +/- 2.93   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.99 +/- 0.31  99.777% * 99.1942% (0.99 10.00   4.80 135.77) =  99.998%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.48 +/- 0.71   0.223% *  0.8058% (0.81 10.00   0.02   0.02) =   0.002%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 135.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.25 +/- 0.15  97.426% * 96.5416% (0.99  10.0 10.00   5.08 135.77) =  99.998%  kept
          HB3   LYS+  38 - QD    LYS+  99   6.62 +/- 1.99   1.440% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+ 106   6.35 +/- 1.38   0.658% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.30 +/- 0.86   0.381% *  0.0837% (0.86   1.0  1.00   0.02  21.80) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.05 +/- 0.79   0.009% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  12.72 +/- 1.38   0.004% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.90 +/- 0.80   0.029% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.32 +/- 0.55   0.021% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.68 +/- 2.44   0.014% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.04 +/- 0.86   0.005% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.58 +/- 1.10   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.96 +/- 1.53   0.005% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.79 +/- 1.56   0.003% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.44 +/- 1.75   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.56 +/- 3.13   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  17.62 +/- 1.60   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  17.57 +/- 1.78   0.001% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.34 +/- 1.83   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  19.79 +/- 2.04   0.000% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.26 +/- 1.50   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.02 +/- 1.23   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  25.97 +/- 2.13   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.60 +/- 1.16   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  21.87 +/- 0.91   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  27.13 +/- 1.08   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.13 +/- 1.35   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 135.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.28 +/- 0.12  99.946% * 96.1045% (0.99  10.0 10.00   4.10 135.77) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.19 +/- 0.80   0.005% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.63 +/- 2.05   0.004% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106   9.64 +/- 2.53   0.042% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.56 +/- 2.61   0.001% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  19.84 +/- 1.91   0.000% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  25.91 +/- 1.94   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.08 +/- 1.54   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  18.98 +/- 2.29   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.96 +/- 1.08   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  99.619% * 98.7514% (0.99  10.0 10.00   3.38 135.77) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.37 +/- 0.97   0.322% *  0.0717% (0.72   1.0  1.00   0.02   9.99) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.14 +/- 1.31   0.006% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.80 +/- 0.64   0.043% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.43 +/- 1.37   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.09 +/- 1.58   0.007% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.25 +/- 1.70   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.03 +/- 1.31   0.001% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.95 +/- 1.26   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  17.58 +/- 2.16   0.000% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.23, residual support = 135.8:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.44 +/- 0.39 100.000% *100.0000% (1.00 10.00   5.23 135.77) = 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 = 0.985, support = 5.31, residual support = 122.9:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.98 +/- 0.61  81.496% * 53.3343% (1.00 10.00   5.51 135.77) =  88.724%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.95 +/- 1.56  11.935% * 46.2637% (0.87 10.00   3.74  21.80) =  11.271%  kept
          HB    ILE  103 - QE    LYS+ 106   6.08 +/- 1.78   6.512% *  0.0427% (0.80  1.00   0.02   0.02) =   0.006%
          HB    ILE   56 - QE    LYS+ 106  13.14 +/- 1.17   0.018% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.71 +/- 1.48   0.018% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.32 +/- 3.37   0.004% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.44 +/- 1.47   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.25 +/- 1.66   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  18.32 +/- 1.59   0.002% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.52 +/- 1.55   0.004% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.71 +/- 1.50   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  20.35 +/- 2.38   0.001% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.18 +/- 1.39   0.002% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 135.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.79 +/- 0.33  99.834% * 98.2431% (1.00  10.0 10.00   4.52 135.77) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106   9.98 +/- 2.68   0.161% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.57 +/- 2.24   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  20.41 +/- 2.23   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.52 +/- 1.79   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  99.929% * 98.5861% (0.99  10.0 10.00   3.38 135.77) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.14 +/- 1.31   0.006% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.10 +/- 3.13   0.017% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.40 +/- 1.61   0.024% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.74 +/- 1.18   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.91 +/- 1.39   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.32 +/- 1.47   0.003% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  12.78 +/- 1.80   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.42 +/- 1.78   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.50 +/- 2.63   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HB    VAL  107 - HA    VAL  107   2.90 +/- 0.20  99.810% * 99.6302% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.42 +/- 1.10   0.061% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.31 +/- 0.60   0.103% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.89 +/- 0.84   0.023% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.10 +/- 1.39   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.60 +/- 1.46   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.55 +/- 0.88   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HA    VAL  107 - HB    VAL  107   2.90 +/- 0.20  99.061% * 99.7511% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.24 +/- 1.48   0.911% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  13.75 +/- 0.85   0.010% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.25 +/- 1.24   0.014% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.93 +/- 0.65   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  16.95 +/- 0.62   0.003% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.70 +/- 0.35  97.343% * 99.4465% (1.00  10.0 10.00   3.30  62.12) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   6.44 +/- 1.72   2.626% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  12.45 +/- 1.36   0.022% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.88 +/- 1.84   0.008% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.15 +/- 1.18   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.44 +/- 0.58   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.76 +/- 1.40   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.44 +/- 2.41   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.39 +/- 2.44   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   2.62 +/- 0.05  99.844% * 99.8607% (1.00  10.0 10.00   3.97  62.12) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  12.93 +/- 2.28   0.134% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  12.70 +/- 1.23   0.011% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.78 +/- 1.46   0.006% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.94 +/- 2.07   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.57 +/- 0.46  99.811% * 99.7938% (1.00  10.0 10.00   3.30  62.12) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.58 +/- 1.40   0.104% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  10.70 +/- 1.62   0.077% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.46 +/- 0.49   0.008% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.11 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   2.70 +/- 0.35  97.790% * 99.8175% (1.00  10.0 10.00   3.30  62.12) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.46 +/- 0.34   2.183% *  0.0308% (0.31   1.0  1.00   0.02   7.62) =   0.001%
          HA    ALA   47 - HB    VAL  108  13.97 +/- 2.46   0.015% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.16 +/- 2.22   0.009% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.04 +/- 2.83   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.959% * 99.8607% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  14.17 +/- 2.48   0.032% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  12.75 +/- 1.55   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.81 +/- 1.88   0.002% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.57 +/- 2.14   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  99.984% * 99.1471% (1.00  10.0 10.00   3.00  62.12) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  10.85 +/- 1.40   0.010% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.78 +/- 0.51   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.52 +/- 1.55   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 3.96, residual support = 61.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.05  81.111% * 95.2093% (1.00  10.0 10.00   3.97  62.12) =  98.882%  kept
          HA1   GLY  109 - QG1   VAL  108   3.38 +/- 0.24  18.784% *  4.6461% (0.31   1.0  1.00   3.16   7.62) =   1.117%  kept
          HA    ALA   47 - QG1   VAL  108  11.06 +/- 2.49   0.061% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.06 +/- 2.34   0.036% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.06 +/- 2.88   0.008% *  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  99.884% * 99.4465% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   7.35 +/- 1.34   0.110% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.56 +/- 1.20   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.93 +/- 1.93   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.03 +/- 1.65   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.38 +/- 1.78   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.66 +/- 0.69   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.82 +/- 2.63   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  33.06 +/- 2.70   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.02  99.967% * 99.7938% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108   9.97 +/- 1.28   0.018% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.34 +/- 1.43   0.013% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.51 +/- 0.46   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.57 +/- 0.46  96.649% * 99.8175% (1.00  10.0 10.00   3.30  62.12) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.16 +/- 0.36   3.306% *  0.0308% (0.31   1.0  1.00   0.02   7.62) =   0.001%
          HA    ALA   47 - QG2   VAL  108  11.73 +/- 2.49   0.029% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.85 +/- 2.14   0.012% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.15 +/- 2.58   0.003% *  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  99.856% * 98.6316% (1.00  10.0 10.00   3.00  62.12) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.39 +/- 1.40   0.132% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.33 +/- 1.31   0.008% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.63 +/- 1.73   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.42 +/- 1.48   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.45 +/- 0.59   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.82 +/- 1.54   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.04 +/- 2.37   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  31.32 +/- 2.66   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.02  98.273% * 99.8607% (1.00  10.0 10.00   3.44  62.12) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  11.50 +/- 2.43   1.699% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - QG2   VAL  108  10.29 +/- 1.33   0.019% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.55 +/- 2.08   0.005% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.13 +/- 1.69   0.004% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.21:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.997% * 98.9563% (1.00  10.0 10.00   2.00   9.21) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.42 +/- 3.60   0.001% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.68 +/- 1.33   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.43 +/- 1.31   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.49 +/- 2.56   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.21:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.618% * 97.8789% (1.00  10.0 10.00   2.00   9.21) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.45 +/- 0.05   0.373% *  0.0302% (0.31   1.0  1.00   0.02   7.62) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.21 +/- 2.87   0.005% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  15.83 +/- 3.41   0.001% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.30 +/- 2.51   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.77 +/- 2.12   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.30 +/- 0.68   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  99.992% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  12.14 +/- 2.62   0.005% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  15.01 +/- 1.83   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.95 +/- 2.76   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.82 +/- 2.63   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.20 +/- 2.66   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.33 +/- 3.03   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  18.56 +/- 2.08   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.87 +/- 1.32   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  22.29 +/- 3.14   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.23 +/- 2.75   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.58 +/- 1.81   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 +/- 0.02  99.480% * 98.8162% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
          HA    PHE   55 - QB    ALA  110   6.85 +/- 2.37   0.321% *  0.0857% (0.87   1.0  1.00   0.02   0.27) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.21 +/- 0.92   0.138% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  12.14 +/- 2.62   0.005% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.02 +/- 0.66   0.019% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   9.15 +/- 1.71   0.025% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  12.00 +/- 1.64   0.004% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.92 +/- 0.62   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.46 +/- 1.69   0.001% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.26 +/- 0.68   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.90 +/- 1.09   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  14.18 +/- 2.21   0.002% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 314.9:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.63 +/- 0.19  93.178% * 98.9314% (1.00  10.0 10.00   7.98 314.94) =  99.996%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.27 +/- 0.59   6.804% *  0.0560% (0.57   1.0  1.00   0.02   0.17) =   0.004%
          HB    ILE  119 - HA    LYS+ 111  11.40 +/- 0.69   0.017% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.57 +/- 1.09   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.42 +/- 2.55   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.74 +/- 1.35   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.21 +/- 0.94   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.72 +/- 2.88   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.21 +/- 0.92   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.28 +/- 1.35   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.08 +/- 0.78   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.57 +/- 1.30   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   2.85 +/- 0.56  99.164% * 99.2615% (1.00  10.0 10.00   7.31 314.94) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.74 +/- 2.20   0.771% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.51 +/- 1.80   0.014% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.36 +/- 1.11   0.012% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  16.20 +/- 1.22   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.67 +/- 1.27   0.020% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  16.56 +/- 1.92   0.006% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.62 +/- 1.84   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.68 +/- 1.57   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.86 +/- 2.77   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.06 +/- 1.33   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.79 +/- 0.88   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.06 +/- 1.28   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.993, support = 7.3, residual support = 311.8:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   3.35 +/- 0.50  90.791% * 89.7217% (1.00  10.0 10.00   7.31 314.94) =  98.914%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   5.86 +/- 1.48   9.190% *  9.7271% (0.38   1.0  1.00   5.78  28.51) =   1.086%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.61 +/- 1.26   0.004% *  0.3367% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  17.59 +/- 2.97   0.010% *  0.0889% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  23.74 +/- 2.57   0.002% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.97 +/- 2.54   0.001% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  23.98 +/- 1.60   0.001% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.82 +/- 1.36   0.001% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.9:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.42 +/- 0.79  93.814% * 98.3525% (1.00 10.00   6.21 314.94) =  99.994%  kept
          HG3   PRO   93 - HA    LYS+ 111   7.96 +/- 3.07   5.600% *  0.0853% (0.87  1.00   0.02   0.02) =   0.005%
          HB3   MET   92 - HA    LYS+ 111   9.64 +/- 1.63   0.354% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  11.37 +/- 1.54   0.202% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.54 +/- 1.69   0.003% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  16.75 +/- 0.68   0.011% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.03 +/- 1.34   0.005% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.12 +/- 1.27   0.003% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  26.27 +/- 1.39   0.001% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.76 +/- 1.32   0.004% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  21.57 +/- 2.51   0.003% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.9:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   2.96 +/- 0.67  99.869% * 98.5544% (1.00 10.00   6.21 314.94) = 100.000%  kept
          QB    ALA   57 - HA    LYS+ 111  11.06 +/- 0.91   0.097% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.03 +/- 1.34   0.003% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  13.91 +/- 0.78   0.019% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.50 +/- 1.31   0.005% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  17.87 +/- 0.89   0.004% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.68 +/- 1.51   0.000% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  21.57 +/- 2.51   0.003% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.9:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.11 +/- 0.37  99.975% * 99.8490% (1.00 10.00   5.62 314.94) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.02 +/- 0.96   0.024% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  24.12 +/- 0.77   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 314.9:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.63 +/- 0.19  99.971% * 99.7221% (1.00  10.0 10.00   7.98 314.94) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.37 +/- 1.71   0.028% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.57 +/- 1.09   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  27.17 +/- 1.42   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.86 +/- 0.23  97.458% * 98.9173% (1.00  10.0 10.00   7.31 314.94) =  99.999%  kept
          HB3   PRO   93 - HB2   LYS+ 111   9.53 +/- 2.29   1.352% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   GLN   30   6.98 +/- 0.71   1.004% *  0.0197% (0.20   1.0  1.00   0.02  50.05) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.60 +/- 2.50   0.095% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.05 +/- 1.92   0.010% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.61 +/- 1.81   0.007% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  15.12 +/- 1.56   0.006% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.76 +/- 1.65   0.019% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.11 +/- 1.56   0.010% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  17.27 +/- 1.94   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.26 +/- 1.51   0.008% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.26 +/- 1.55   0.006% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.62 +/- 2.42   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  16.66 +/- 3.08   0.004% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.30 +/- 1.94   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  22.69 +/- 2.49   0.001% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  17.14 +/- 1.35   0.002% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  24.38 +/- 3.17   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.54 +/- 1.97   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.67 +/- 1.08   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.10 +/- 1.83   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  17.44 +/- 1.60   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  28.90 +/- 2.40   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  21.60 +/- 1.37   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.81 +/- 1.65   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  22.98 +/- 1.75   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 314.9:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.77 +/- 0.21  96.908% * 98.4912% (1.00  10.0 10.00   7.29 314.94) = 100.000%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.19 +/- 1.01   0.666% *  0.0370% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          HG    LEU   71 - HG3   GLN   30   7.87 +/- 2.62   1.366% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.08 +/- 2.15   0.523% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.12 +/- 1.00   0.515% *  0.0039% (0.04   1.0  1.00   0.02  14.90) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  12.73 +/- 0.68   0.012% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.98 +/- 1.68   0.002% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  18.21 +/- 3.00   0.002% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.32 +/- 3.31   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.55 +/- 2.06   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.05 +/- 3.20   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.42 +/- 2.22   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.19 +/- 1.71   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.55 +/- 2.65   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  21.05 +/- 1.76   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  29.49 +/- 2.16   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 314.9:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.81 +/- 0.25  95.413% * 97.6852% (1.00  10.0 10.00   6.62 314.94) =  99.996%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.08 +/- 3.18   3.538% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HG3   GLN   30   6.92 +/- 1.14   0.752% *  0.0176% (0.18   1.0  1.00   0.02   5.13) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  13.75 +/- 2.65   0.126% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.32 +/- 2.32   0.098% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  10.69 +/- 1.64   0.049% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.24 +/- 2.33   0.001% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  15.69 +/- 1.30   0.004% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  17.41 +/- 1.76   0.002% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.09 +/- 1.63   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.70 +/- 1.80   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.46 +/- 2.25   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  25.16 +/- 2.27   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.28 +/- 1.71   0.005% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  20.90 +/- 1.94   0.001% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  18.32 +/- 1.65   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.34 +/- 1.75   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.61 +/- 2.17   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  16.48 +/- 2.02   0.003% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.04 +/- 2.71   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.65 +/- 1.31   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  24.52 +/- 2.34   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.989, support = 6.54, residual support = 310.7:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   2.74 +/- 0.62  83.110% * 92.1301% (1.00  10.0 10.00   6.62 314.94) =  98.649%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.09 +/- 1.66  16.837% *  6.2279% (0.18   1.0 10.00   0.75   0.28) =   1.351%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.98 +/- 0.86   0.019% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.45 +/- 1.75   0.011% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.09 +/- 1.63   0.001% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.72 +/- 0.77   0.011% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  16.87 +/- 1.37   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  18.81 +/- 1.70   0.002% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.12 +/- 2.18   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  18.32 +/- 1.65   0.001% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  19.12 +/- 0.84   0.001% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.85 +/- 2.00   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.04 +/- 2.71   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  16.48 +/- 2.02   0.003% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  24.87 +/- 2.68   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.22 +/- 1.52   0.000% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 314.9:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.65 +/- 0.62  83.823% * 99.6189% (1.00 10.00   6.06 314.94) =  99.998%  kept
          HB2   CYS   21 - HG3   GLN   30   5.70 +/- 1.20  16.117% *  0.0113% (0.11  1.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HB2   LYS+ 111  13.42 +/- 1.30   0.047% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.86 +/- 1.14   0.011% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  25.93 +/- 1.82   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.03 +/- 1.69   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   2.85 +/- 0.56  99.943% * 99.9354% (1.00  10.0 10.00   7.31 314.94) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  10.84 +/- 1.34   0.057% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.86 +/- 0.23  87.199% * 98.9314% (1.00  10.0 10.00   7.31 314.94) =  99.992%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.36 +/- 0.92  12.784% *  0.0560% (0.57   1.0  1.00   0.02   0.17) =   0.008%
          HB    ILE  119 - HG2   LYS+ 111  12.61 +/- 1.22   0.014% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  27.54 +/- 1.97   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.46 +/- 2.85   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.70 +/- 3.15   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.77 +/- 1.76   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  25.95 +/- 1.51   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.65 +/- 1.73   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  28.88 +/- 2.12   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.13 +/- 2.24   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.00 +/- 1.63   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 314.9:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.982% * 98.1828% (1.00  10.0 10.00   6.98 314.94) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.12 +/- 1.33   0.017% *  0.0368% (0.38   1.0  1.00   0.02  28.51) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  16.68 +/- 3.12   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.18 +/- 1.54   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.67 +/- 2.35   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.07 +/- 2.98   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.32 +/- 2.98   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.37 +/- 1.93   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 = 314.9:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.98 +/- 0.04  94.379% * 97.1375% (1.00  10.0 10.00   6.21 314.94) =  99.994%  kept
          HG3   PRO   93 - HG2   LYS+ 111   8.57 +/- 3.16   5.328% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - HG2   LYS+ 111  10.32 +/- 2.32   0.126% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 111   9.34 +/- 1.86   0.160% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  20.64 +/- 2.16   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.59 +/- 1.96   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.74 +/- 1.10   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.42 +/- 1.38   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.22 +/- 1.82   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  26.10 +/- 2.07   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.04 +/- 2.75   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.9:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.65 +/- 0.18  99.981% * 97.8296% (1.00  10.0 10.00   6.21 314.94) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.45 +/- 0.91   0.011% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  19.17 +/- 1.62   0.001% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.24 +/- 1.48   0.005% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.42 +/- 1.38   0.001% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.69 +/- 2.00   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  18.92 +/- 1.12   0.001% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.04 +/- 2.75   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 0.02 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.9:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.27 +/- 0.34  99.993% * 99.8490% (1.00  10.0 10.00   5.62 314.94) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  12.86 +/- 1.31   0.007% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  24.16 +/- 1.71   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.9:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   3.35 +/- 0.50  99.892% * 99.8218% (1.00  10.0 10.00   7.31 314.94) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.49 +/- 1.62   0.087% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  18.61 +/- 1.26   0.004% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  15.43 +/- 1.72   0.017% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 314.9:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.77 +/- 0.21  77.476% * 98.2440% (1.00  10.0 10.00   7.29 314.94) =  99.984%  kept
          QB    GLU- 114 - HG3   LYS+ 111   3.97 +/- 1.23  22.336% *  0.0556% (0.57   1.0  1.00   0.02   0.17) =   0.016%
        T HB    ILE   19 - HG2   LYS+  74   8.89 +/- 0.88   0.093% *  0.0511% (0.05   1.0 10.00   0.02   8.32) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  12.73 +/- 0.68   0.010% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.29 +/- 1.26   0.044% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.50 +/- 1.18   0.011% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.98 +/- 1.68   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.61 +/- 1.88   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.42 +/- 2.22   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.63 +/- 0.96   0.004% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  14.52 +/- 0.92   0.004% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.14 +/- 0.75   0.013% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.33 +/- 3.07   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.55 +/- 3.40   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  25.86 +/- 1.64   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.84 +/- 1.73   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.09 +/- 2.01   0.001% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.03 +/- 1.19   0.002% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  28.86 +/- 2.21   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.30 +/- 1.46   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.68 +/- 1.74   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  26.68 +/- 2.71   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.86 +/- 1.83   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.16 +/- 1.41   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 = 314.9:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.328% * 98.9181% (1.00  10.0 10.00   6.98 314.94) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.02 +/- 1.23   0.625% *  0.0077% (0.08   1.0  1.00   0.02   6.14) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   9.78 +/- 1.66   0.009% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.14 +/- 0.56   0.025% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.64 +/- 1.52   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.43 +/- 1.79   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.04 +/- 1.69   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.45 +/- 1.68   0.005% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  12.34 +/- 2.30   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  15.93 +/- 1.86   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  16.62 +/- 1.54   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.73 +/- 1.28   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.18 +/- 1.54   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.45 +/- 1.07   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  18.66 +/- 2.94   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.06 +/- 1.02   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.43 +/- 1.73   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.19 +/- 2.02   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.61 +/- 2.99   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.93 +/- 0.75   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  23.40 +/- 2.68   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.20 +/- 1.43   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.01 +/- 2.16   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.82 +/- 0.74   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  29.53 +/- 2.56   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.76 +/- 1.39   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 = 314.9:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.45 +/- 0.21  98.409% * 96.7411% (1.00  10.0 10.00   5.40 314.94) =  99.998%  kept
          HG3   PRO   93 - HG3   LYS+ 111   8.97 +/- 2.79   1.198% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG3   LYS+ 111   9.83 +/- 2.83   0.071% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG3   LYS+ 111   9.73 +/- 1.66   0.055% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   7.06 +/- 0.43   0.207% *  0.0093% (0.10   1.0  1.00   0.02  40.74) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  20.16 +/- 2.68   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  20.18 +/- 2.36   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.26 +/- 2.17   0.024% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.71 +/- 1.26   0.002% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.80 +/- 1.97   0.010% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  17.53 +/- 1.04   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.07 +/- 1.14   0.006% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.55 +/- 1.37   0.000% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.45 +/- 1.82   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.63 +/- 0.99   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  25.77 +/- 2.36   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.66 +/- 1.39   0.012% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.19 +/- 1.90   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.16 +/- 1.21   0.000% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  20.48 +/- 2.54   0.001% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.19 +/- 2.62   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.77 +/- 1.79   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.928, support = 5.41, residual support = 304.8:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.86 +/- 0.24  50.842% * 89.7666% (1.00  10.0 10.00   5.40 314.94) =  92.070%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.88 +/- 0.19  49.054% *  8.0133% (0.09  10.0 10.00   5.54 187.29) =   7.930%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.80 +/- 0.88   0.007% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.35 +/- 1.13   0.060% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.32 +/- 1.55   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.80 +/- 1.97   0.013% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.38 +/- 1.26   0.002% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  13.89 +/- 1.65   0.005% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.55 +/- 1.37   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.72 +/- 1.10   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.52 +/- 2.10   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.45 +/- 1.72   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.66 +/- 1.39   0.013% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.19 +/- 2.62   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.29 +/- 2.25   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.91 +/- 1.01   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 = 314.9:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.39  99.478% * 99.7265% (1.00  10.0 10.00   5.44 314.94) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   8.17 +/- 0.70   0.231% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   8.07 +/- 0.80   0.273% *  0.0060% (0.06   1.0  1.00   0.02   9.35) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  13.00 +/- 1.23   0.015% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.29 +/- 1.69   0.002% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.15 +/- 1.85   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 = 314.9:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.42 +/- 0.79  99.869% * 99.4172% (1.00 10.00   6.21 314.94) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  11.87 +/- 2.41   0.111% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.54 +/- 1.69   0.003% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.03 +/- 1.34   0.006% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.82 +/- 1.05   0.009% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.27 +/- 1.39   0.001% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.56 +/- 1.30   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  29.58 +/- 1.82   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.9:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.81 +/- 0.25  58.291% * 97.9440% (1.00  10.0 10.00   6.62 314.94) =  99.988%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.40 +/- 1.34  10.408% *  0.0555% (0.57   1.0  1.00   0.02   0.17) =   0.010%
          HB3   GLU- 100 - QD    LYS+  38   4.74 +/- 3.31  24.868% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  38  12.28 +/- 3.39   4.659% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   8.10 +/- 2.23   0.872% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.13 +/- 2.67   0.273% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.75 +/- 2.65   0.071% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.57 +/- 1.60   0.233% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.87 +/- 1.71   0.066% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.91 +/- 2.34   0.116% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.00 +/- 1.18   0.007% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  14.65 +/- 3.09   0.042% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.24 +/- 2.33   0.001% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  17.41 +/- 1.76   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.09 +/- 1.63   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  18.47 +/- 3.95   0.012% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.87 +/- 1.68   0.010% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  18.32 +/- 1.65   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.03 +/- 2.83   0.019% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.04 +/- 2.01   0.003% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.94 +/- 2.14   0.006% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.65 +/- 1.64   0.010% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.61 +/- 2.17   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.10 +/- 2.05   0.018% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.06 +/- 1.29   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.93 +/- 1.18   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.07 +/- 1.67   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.73 +/- 1.96   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.27 +/- 2.05   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.95 +/- 3.30   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  25.16 +/- 2.27   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  19.15 +/- 2.70   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.63 +/- 1.58   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.29 +/- 2.14   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.83 +/- 1.05   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.16 +/- 3.59   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  18.63 +/- 1.87   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.72 +/- 1.73   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.55 +/- 1.02   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  30.16 +/- 2.07   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  18.00 +/- 1.71   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.18 +/- 2.08   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  27.62 +/- 2.72   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.11 +/- 1.68   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.05 +/- 1.66   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  20.67 +/- 1.83   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.27 +/- 1.85   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.19 +/- 2.01   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.81, support = 6.11, residual support = 295.9:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.98 +/- 0.04  18.233% * 90.8110% (1.00  10.0 10.00   6.21 314.94) =  79.811%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.34 +/- 0.17  76.464% *  5.4729% (0.06  10.0 10.00   5.75 220.62) =  20.172%  kept
        T HG2   LYS+  99 - QD    LYS+  38   5.89 +/- 2.35   4.960% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   93 - HD2   LYS+ 111  10.88 +/- 2.46   0.114% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - QD    LYS+ 102   8.23 +/- 1.25   0.075% *  0.2129% (0.23   1.0 10.00   0.02   1.77) =   0.001%
        T HG2   LYS+  38 - QD    LYS+ 102  12.12 +/- 2.43   0.007% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.12 +/- 1.06   0.066% *  0.0106% (0.12   1.0  1.00   0.02   2.59) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.50 +/- 0.42   0.035% *  0.0116% (0.13   1.0  1.00   0.02   1.46) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.70 +/- 1.71   0.005% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.28 +/- 1.69   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.28 +/- 2.62   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.22 +/- 1.80   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  20.64 +/- 2.16   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.80 +/- 2.41   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.06 +/- 1.46   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.41 +/- 1.80   0.012% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.69 +/- 0.95   0.004% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.78 +/- 1.57   0.001% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  15.37 +/- 3.08   0.002% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.31 +/- 0.84   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.74 +/- 1.71   0.002% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.42 +/- 1.38   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.94 +/- 1.62   0.003% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.28 +/- 1.83   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.37 +/- 2.41   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.83 +/- 2.67   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.48 +/- 2.58   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.32 +/- 1.22   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.82 +/- 3.44   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  18.27 +/- 1.23   0.000% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.95 +/- 1.31   0.002% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.56 +/- 2.39   0.001% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.56 +/- 1.79   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.23 +/- 2.05   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.10 +/- 2.07   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  23.55 +/- 3.83   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  21.07 +/- 2.01   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.07 +/- 1.77   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  18.00 +/- 1.46   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 1.08   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.33 +/- 1.28   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.86 +/- 1.32   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  20.87 +/- 2.00   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.61 +/- 1.07   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.15 +/- 1.23   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.06 +/- 1.08   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.07 +/- 1.16   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  25.77 +/- 4.05   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.41 +/- 1.65   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  23.72 +/- 2.15   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.50 +/- 1.47   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  25.73 +/- 1.59   0.000% *  0.0031% (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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 314.9:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.45 +/- 0.21  93.934% * 98.1177% (1.00  10.0 10.00   5.40 314.94) =  99.998%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.24 +/- 2.28   3.214% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.14 +/- 1.92   1.624% *  0.0368% (0.38   1.0  1.00   0.02  28.51) =   0.001%
        T HG3   LYS+  99 - QD    LYS+ 102   7.45 +/- 1.51   0.304% *  0.0875% (0.09   1.0 10.00   0.02   1.77) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.71 +/- 2.09   0.491% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.80 +/- 1.97   0.010% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.82 +/- 3.53   0.288% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.93 +/- 1.78   0.106% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.45 +/- 1.82   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  18.11 +/- 3.54   0.001% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  20.16 +/- 2.68   0.000% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.55 +/- 1.37   0.000% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.08 +/- 2.78   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.74 +/- 2.18   0.011% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.65 +/- 1.33   0.004% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.16 +/- 1.21   0.000% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.86 +/- 1.57   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.81 +/- 1.45   0.000% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.41 +/- 1.04   0.002% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  16.07 +/- 1.29   0.002% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.48 +/- 2.54   0.001% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  24.91 +/- 3.18   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.49 +/- 2.57   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  21.54 +/- 2.15   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  25.77 +/- 2.36   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.17 +/- 3.30   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.95 +/- 1.32   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  23.86 +/- 1.25   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.37 +/- 1.99   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.57 +/- 1.72   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.55 +/- 1.65   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  27.88 +/- 2.26   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.03 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 = 314.9:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.46 +/- 0.12  99.988% * 99.2899% (1.00  10.0 10.00   4.97 314.94) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.33 +/- 1.55   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  19.47 +/- 2.30   0.001% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.22 +/- 1.64   0.001% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.59 +/- 1.73   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  16.94 +/- 0.89   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  17.02 +/- 1.76   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.10 +/- 2.38   0.003% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  24.53 +/- 1.95   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.71 +/- 1.49   0.001% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.38 +/- 1.73   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.70 +/- 1.52   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.9:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   2.96 +/- 0.67  99.863% * 98.7339% (1.00 10.00   6.21 314.94) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  11.52 +/- 1.85   0.125% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.03 +/- 1.34   0.003% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.68 +/- 1.51   0.000% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.82 +/- 1.05   0.007% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.94 +/- 1.83   0.000% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 314.6:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   2.74 +/- 0.62  72.321% * 96.6565% (1.00  10.0 10.00   6.62 314.94) =  99.906%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.09 +/- 1.66  14.264% *  0.4216% (0.44   1.0 10.00   0.02   0.28) =   0.086%
          QB    GLU- 114 - HD3   LYS+ 111   4.48 +/- 1.30   7.345% *  0.0547% (0.57   1.0  1.00   0.02   0.17) =   0.006%
          HB2   GLN   30 - QD    LYS+  33   5.73 +/- 0.83   3.838% *  0.0193% (0.20   1.0  1.00   0.02   0.28) =   0.001%
          QB    GLU-  15 - QD    LYS+  33   9.58 +/- 2.45   0.630% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   8.10 +/- 2.23   0.804% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.33 +/- 1.61   0.250% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.13 +/- 2.67   0.285% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.87 +/- 1.71   0.056% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.91 +/- 2.34   0.123% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.26 +/- 1.96   0.012% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.69 +/- 1.96   0.011% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.05 +/- 1.56   0.019% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  15.87 +/- 2.97   0.005% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.09 +/- 1.63   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.85 +/- 2.67   0.005% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  12.89 +/- 1.35   0.007% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  18.32 +/- 1.65   0.001% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.87 +/- 1.68   0.009% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.12 +/- 2.18   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.65 +/- 1.64   0.009% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  28.85 +/- 2.00   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.93 +/- 1.18   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.08 +/- 2.08   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.74 +/- 1.82   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.01 +/- 3.31   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  26.72 +/- 1.43   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.22 +/- 3.56   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.85 +/- 1.65   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  18.00 +/- 1.71   0.001% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.10 +/- 2.15   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  30.37 +/- 2.11   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.11 +/- 1.68   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.29 +/- 1.62   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.27 +/- 1.85   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.04 +/- 2.43   0.000% *  0.0269% (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 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.9:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.65 +/- 0.18  99.401% * 96.9774% (1.00  10.0 10.00   6.21 314.94) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   7.94 +/- 0.91   0.209% *  0.0861% (0.89   1.0  1.00   0.02   0.56) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.77 +/- 2.43   0.165% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.87 +/- 1.08   0.051% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.50 +/- 0.42   0.099% *  0.0201% (0.21   1.0  1.00   0.02   1.46) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  12.99 +/- 1.33   0.009% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.17 +/- 1.38   0.008% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.29 +/- 1.86   0.002% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.06 +/- 1.46   0.001% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.69 +/- 0.95   0.010% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  16.77 +/- 2.63   0.004% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.28 +/- 1.85   0.002% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.28 +/- 1.56   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.42 +/- 1.38   0.001% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.94 +/- 1.62   0.009% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  16.76 +/- 1.71   0.002% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  17.46 +/- 1.61   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  19.28 +/- 3.19   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.28 +/- 1.83   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.69 +/- 2.00   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.74 +/- 1.82   0.005% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.37 +/- 2.58   0.002% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.22 +/- 2.40   0.001% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.95 +/- 1.31   0.004% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.26 +/- 1.63   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  20.80 +/- 2.02   0.000% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.82 +/- 0.89   0.002% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.90 +/- 3.46   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.63 +/- 2.38   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  22.78 +/- 1.26   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.13 +/- 1.76   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 1.08   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.86 +/- 1.32   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  27.58 +/- 1.87   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.33 +/- 1.28   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.15 +/- 1.23   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.06 +/- 1.08   0.001% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  30.82 +/- 2.29   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.07 +/- 1.16   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 314.9:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.86 +/- 0.24  92.134% * 97.4498% (1.00  10.0 10.00   5.40 314.94) =  99.997%  kept
          HG    LEU   71 - QD    LYS+  33   6.91 +/- 3.60   4.912% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - QD    LYS+  33   7.68 +/- 3.30   1.250% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD3   LYS+ 111   7.66 +/- 1.92   1.035% *  0.0366% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.00 +/- 2.18   0.565% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.80 +/- 1.97   0.028% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.38 +/- 1.26   0.004% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.45 +/- 1.72   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.92 +/- 1.16   0.009% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  18.14 +/- 3.73   0.003% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.55 +/- 1.37   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.74 +/- 2.18   0.032% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.52 +/- 2.10   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.65 +/- 1.33   0.011% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.86 +/- 1.57   0.010% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.81 +/- 1.45   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  23.00 +/- 1.28   0.000% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.49 +/- 2.57   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.12 +/- 3.10   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.37 +/- 3.19   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.44 +/- 2.54   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  23.86 +/- 1.25   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  29.19 +/- 2.55   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.49 +/- 1.87   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.07 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 = 314.9:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.31 +/- 0.13  99.944% * 98.5534% (1.00  10.0 10.00   4.97 314.94) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.67 +/- 1.35   0.051% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  14.37 +/- 1.62   0.003% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.22 +/- 1.64   0.000% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  25.96 +/- 1.97   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.09 +/- 1.05   0.000% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  16.94 +/- 0.89   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  17.02 +/- 1.76   0.001% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.54 +/- 1.67   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.9:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.11 +/- 0.37  99.846% * 99.9354% (1.00 10.00   5.62 314.94) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.81 +/- 1.76   0.154% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.9:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.65 +/- 0.62  80.641% * 98.9314% (1.00 10.00   6.06 314.94) =  99.986%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.06 +/- 0.80  19.291% *  0.0560% (0.57  1.00   0.02   0.17) =   0.014%
          HB    ILE  119 - QE    LYS+ 111  12.51 +/- 1.23   0.057% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  25.93 +/- 1.82   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.03 +/- 2.64   0.002% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.27 +/- 2.00   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.39 +/- 1.56   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  23.37 +/- 2.89   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.36 +/- 1.51   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  26.89 +/- 1.63   0.001% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.56 +/- 2.14   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.58 +/- 1.48   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 314.9:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.27 +/- 0.34  99.826% * 99.2615% (1.00  10.0 10.00   5.62 314.94) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.59 +/- 2.10   0.146% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.12 +/- 1.72   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.68 +/- 2.03   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  14.21 +/- 1.98   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  12.78 +/- 1.36   0.008% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  15.93 +/- 1.42   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.82 +/- 2.03   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.72 +/- 2.82   0.000% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  18.38 +/- 1.88   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  22.66 +/- 1.99   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.77 +/- 1.54   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.07 +/- 2.12   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 314.9:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.80 +/- 0.39  98.997% * 99.3524% (1.00  10.0 10.00   5.44 314.94) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.18 +/- 1.62   0.986% *  0.0373% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.50 +/- 3.03   0.013% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  18.29 +/- 1.69   0.002% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  22.91 +/- 2.54   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.51 +/- 2.16   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.03 +/- 2.68   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.89 +/- 1.67   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 0.08 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.9:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.46 +/- 0.12  99.301% * 98.3525% (1.00  10.0 10.00   4.97 314.94) =  99.999%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.64 +/- 2.86   0.569% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111   9.07 +/- 1.77   0.077% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  10.25 +/- 2.14   0.048% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  19.47 +/- 2.30   0.001% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.05 +/- 1.17   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.22 +/- 1.64   0.001% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.28 +/- 1.77   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  24.53 +/- 1.95   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.63 +/- 1.74   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.61 +/- 2.63   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.9:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.31 +/- 0.13  99.987% * 98.5544% (1.00  10.0 10.00   4.97 314.94) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.77 +/- 1.20   0.008% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.22 +/- 1.64   0.000% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.08 +/- 1.39   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  25.96 +/- 1.97   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.32 +/- 1.76   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.09 +/- 1.10   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.61 +/- 2.63   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.92 +/- 0.11  99.452% * 98.3538% (1.00  10.0 10.00   6.00 231.71) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.61 +/- 2.40   0.502% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  16.20 +/- 1.21   0.004% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.38 +/- 1.00   0.008% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.70 +/- 1.74   0.004% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  13.99 +/- 1.22   0.011% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.60 +/- 2.22   0.015% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.92 +/- 1.61   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  18.91 +/- 1.66   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.24 +/- 0.90   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.75 +/- 1.50   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.50 +/- 1.76   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  29.13 +/- 1.33   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.85 +/- 1.45   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.7:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.01 +/- 0.49  99.914% * 99.8441% (1.00  10.0 10.00   6.08 231.71) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  11.78 +/- 0.96   0.044% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  11.99 +/- 1.01   0.041% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.01 +/- 0.62  99.760% * 99.8009% (1.00  10.0 10.00   5.76 231.71) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  10.82 +/- 1.24   0.097% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.65 +/- 0.88   0.135% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.70 +/- 1.08   0.006% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  21.23 +/- 1.23   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.796, support = 6.11, residual support = 231.7:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.51 +/- 0.25  89.114% * 43.2573% (0.76  10.0 10.00   6.20 231.71) =  86.484%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.29 +/- 0.76  10.643% * 56.6026% (1.00   1.0 10.00   5.49 231.71) =  13.516%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   7.04 +/- 0.36   0.225% *  0.0212% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  10.81 +/- 0.82   0.017% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.14 +/- 2.86   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  19.76 +/- 2.57   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.92 +/- 0.11  99.364% * 98.8850% (1.00  10.0 10.00   6.00 231.71) =  99.999%  kept
          HB2   HIS  122 - HB    VAL   42   8.67 +/- 2.39   0.611% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.20 +/- 1.21   0.004% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  12.82 +/- 0.95   0.016% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.06 +/- 1.24   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  17.15 +/- 1.57   0.003% *  0.0640% (0.65   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 = 0.767, support = 4.73, residual support = 119.0:
      O T QG1   VAL   42 - HB    VAL   42   2.11 +/- 0.02  84.075% * 40.6012% (0.70  10.0 10.00   4.19  88.69) =  78.807%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.83 +/- 0.21  15.921% * 57.6594% (1.00  10.0 10.00   6.74 231.71) =  21.193%  kept
        T QB    ALA   47 - HB2   LYS+ 112  13.04 +/- 1.07   0.002% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.94 +/- 1.02   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.53 +/- 0.69   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.17 +/- 1.62   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.75 +/- 0.22  99.131% * 98.8037% (1.00  10.0 10.00   5.76 231.71) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   7.60 +/- 1.26   0.453% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   8.73 +/- 1.21   0.239% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  10.83 +/- 1.57   0.120% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  18.28 +/- 1.76   0.002% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.14 +/- 1.00   0.028% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.17 +/- 1.40   0.011% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  12.45 +/- 1.19   0.015% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.94 +/- 1.01   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  23.16 +/- 1.27   0.000% *  0.0599% (0.61   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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.779, support = 6.2, residual support = 231.7:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  93.227% * 42.8460% (0.76  10.0 10.00   6.20 231.71) =  93.734%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.15 +/- 0.54   4.761% * 56.0644% (1.00  10.0 10.00   6.18 231.71) =   6.263%  kept
          HB3   LEU   71 - HB    VAL   42   6.81 +/- 1.56   1.990% *  0.0468% (0.84   1.0  1.00   0.02   2.25) =   0.002%
          HG3   LYS+ 111 - HB2   LYS+ 112   7.63 +/- 0.58   0.016% *  0.0210% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.04 +/- 0.69   0.006% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.20 +/- 2.20   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.62 +/- 0.83   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.43 +/- 1.31   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  17.67 +/- 1.87   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.71 +/- 2.89   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  18.59 +/- 0.70   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  21.36 +/- 2.72   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.7:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.01 +/- 0.49  99.987% * 99.8459% (1.00  10.0 10.00   6.08 231.71) = 100.000%  kept
          HB2   HIS  122 - HG2   LYS+ 112  16.93 +/- 1.62   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HG2   LYS+ 112  15.80 +/- 1.97   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.7:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.83 +/- 0.21  99.646% * 98.3538% (1.00  10.0 10.00   6.74 231.71) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.49 +/- 2.93   0.331% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  18.17 +/- 1.62   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.55 +/- 1.09   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.58 +/- 2.20   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  15.52 +/- 1.47   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.96 +/- 2.69   0.007% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.51 +/- 2.08   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  19.29 +/- 1.95   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.18 +/- 1.04   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.93 +/- 1.63   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.82 +/- 1.81   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  31.02 +/- 1.62   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  30.02 +/- 1.67   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.7:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.997% * 99.8009% (1.00  10.0 10.00   6.98 231.71) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.64 +/- 1.66   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.09 +/- 1.05   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.07 +/- 1.20   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  22.44 +/- 1.46   0.000% *  0.0605% (0.61   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 = 0.86, support = 6.81, residual support = 231.7:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.57 +/- 0.27  65.632% * 43.2573% (0.76  10.0 10.00   6.98 231.71) =  59.420%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.89 +/- 0.22  34.254% * 56.6026% (1.00  10.0 10.00   6.57 231.71) =  40.580%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.22 +/- 1.05   0.105% *  0.0212% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.16 +/- 1.14   0.008% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  24.02 +/- 3.02   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  20.52 +/- 2.44   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.01 +/- 0.62  99.989% * 99.8459% (1.00  10.0 10.00   5.76 231.71) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  15.83 +/- 1.94   0.006% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.21 +/- 1.72   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.75 +/- 0.22  99.662% * 98.3538% (1.00  10.0 10.00   5.76 231.71) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.53 +/- 3.03   0.314% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  18.28 +/- 1.76   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.39 +/- 1.60   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.95 +/- 2.32   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  15.02 +/- 2.65   0.009% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  15.74 +/- 1.43   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  19.10 +/- 2.12   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.56 +/- 2.21   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.17 +/- 1.39   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.87 +/- 1.87   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.72 +/- 2.09   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  31.09 +/- 1.93   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  30.22 +/- 1.89   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.7:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.998% * 99.8441% (1.00  10.0 10.00   6.98 231.71) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.82 +/- 1.47   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  13.49 +/- 1.42   0.001% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.932, support = 5.69, residual support = 231.7:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.40 +/- 0.12  65.096% * 56.6026% (1.00  10.0 10.00   5.55 231.71) =  70.980%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.71 +/- 0.29  34.824% * 43.2573% (0.76  10.0  1.00   6.02 231.71) =  29.020%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.77 +/- 0.75   0.074% *  0.0212% (0.38   1.0  1.00   0.02  28.51) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  12.02 +/- 1.09   0.006% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  24.15 +/- 3.04   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  20.26 +/- 3.07   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 231.7:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.29 +/- 0.76  99.932% * 99.8459% (1.00 10.00   5.49 231.71) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  16.82 +/- 2.10   0.042% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.78 +/- 2.32   0.026% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 231.7:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.15 +/- 0.54  99.586% * 98.3538% (1.00  10.0 10.00   6.18 231.71) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.68 +/- 3.05   0.344% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  19.20 +/- 2.20   0.005% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.20 +/- 1.41   0.009% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  18.61 +/- 3.05   0.007% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  15.90 +/- 2.13   0.025% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  16.08 +/- 2.92   0.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  22.59 +/- 2.32   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.85 +/- 2.21   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.97 +/- 1.37   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.79 +/- 1.82   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.46 +/- 1.96   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  32.03 +/- 2.23   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  30.87 +/- 2.33   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 231.7:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.89 +/- 0.22  99.970% * 99.8441% (1.00  10.0 10.00   6.57 231.71) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  12.56 +/- 1.67   0.020% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  14.28 +/- 1.74   0.010% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 231.7:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.12  99.974% * 99.8009% (1.00  10.0 10.00   5.55 231.71) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.58 +/- 2.63   0.011% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  11.58 +/- 1.52   0.014% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.83 +/- 1.22   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  23.19 +/- 1.70   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T QB    ASP- 113 - HA    ASP- 113   2.45 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.32) = 100.000%  kept
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T HA    ASP- 113 - QB    ASP- 113   2.45 +/- 0.10  99.959% * 99.1713% (1.00  10.0 10.00   2.00  14.32) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.53 +/- 1.02   0.011% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.01 +/- 0.90   0.027% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.48 +/- 0.57   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.86 +/- 1.41   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  26.79 +/- 1.59   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.925, support = 3.29, residual support = 50.8:
    * O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.12  66.673% * 63.8790% (0.97  10.0 10.00   3.16  44.28) =  94.837%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.67 +/- 0.19  27.988% *  6.0284% (0.09  10.0 10.00   6.15 228.22) =   3.757%  kept
        T QB    GLU- 114 - HA    LEU  115   4.25 +/- 0.42   2.143% * 29.3979% (0.44   1.0 10.00   4.63  15.18) =   1.403%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.96 +/- 1.29   1.342% *  0.0481% (0.73   1.0  1.00   0.02   0.17) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.74 +/- 0.30   0.282% *  0.1310% (0.20   1.0 10.00   0.02  15.18) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   5.89 +/- 1.63   1.561% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    LEU  115  11.13 +/- 1.20   0.007% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.49 +/- 2.86   0.001% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.30 +/- 1.23   0.001% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.64 +/- 3.15   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.36 +/- 2.41   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.51 +/- 1.19   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.62 +/- 2.85   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.03 +/- 1.11   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  20.18 +/- 0.99   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.70 +/- 1.37   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.50 +/- 1.29   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.61 +/- 1.03   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  30.23 +/- 1.71   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.71 +/- 1.23   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.11 +/- 1.20   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.87 +/- 1.55   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.903, support = 3.5, residual support = 39.2:
    * O T QG    GLU- 114 - HA    GLU- 114   3.03 +/- 0.30  68.301% * 68.1764% (1.00  10.0 10.00   3.31  44.28) =  82.415%  kept
        T QG    GLU- 114 - HA    LEU  115   4.29 +/- 1.36  31.666% * 31.3756% (0.46   1.0 10.00   4.37  15.18) =  17.585%  kept
          HG2   MET   92 - HA    LEU  115  13.50 +/- 1.65   0.014% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU- 114  15.71 +/- 1.96   0.005% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.51 +/- 1.32   0.009% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.78 +/- 1.55   0.004% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.02 +/- 1.25   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.87 +/- 1.23   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.64 +/- 2.00   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.75 +/- 1.59   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  31.62 +/- 1.84   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  28.22 +/- 1.22   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.60 +/- 1.95   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  31.30 +/- 1.63   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.958, support = 3.19, residual support = 43.6:
    * O T HA    GLU- 114 - QB    GLU- 114   2.29 +/- 0.12  96.640% * 59.0968% (0.97  10.0 10.00   3.16  44.28) =  97.677%  kept
        T HA    LEU  115 - QB    GLU- 114   4.25 +/- 0.42   3.346% * 40.5940% (0.66   1.0 10.00   4.63  15.18) =   2.323%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.08 +/- 0.89   0.002% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  11.13 +/- 1.09   0.011% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.15 +/- 1.77   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.17 +/- 2.01   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.61 +/- 1.81   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.24 +/- 1.65   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.66, residual support = 44.3:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.06  99.993% * 99.1187% (0.96  10.0 10.00   3.66  44.28) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  12.09 +/- 1.82   0.004% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.40 +/- 1.52   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  26.84 +/- 1.91   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.59 +/- 1.26   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.99 +/- 1.96   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  31.10 +/- 1.86   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 = 0.922, support = 3.57, residual support = 37.3:
    * O T HA    GLU- 114 - QG    GLU- 114   3.03 +/- 0.30  68.297% * 59.1519% (1.00  10.0 10.00   3.31  44.28) =  75.852%  kept
        T HA    LEU  115 - QG    GLU- 114   4.29 +/- 1.36  31.653% * 40.6319% (0.69   1.0 10.00   4.37  15.18) =  24.148%  kept
          HA    CYS   53 - QG    GLU- 114  10.91 +/- 1.41   0.040% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.92 +/- 1.20   0.008% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.00 +/- 1.90   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.07 +/- 1.78   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.37 +/- 2.07   0.001% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.98 +/- 1.75   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.96, support = 3.63, residual support = 43.8:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.06  66.717% * 96.2414% (0.96  10.0 10.00   3.66  44.28) =  98.902%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.96 +/- 1.29  29.913% *  2.3805% (0.72   1.0  1.00   0.66   0.17) =   1.097%  kept
          HB2   LEU  115 - QG    GLU- 114   4.65 +/- 1.28   3.367% *  0.0197% (0.20   1.0  1.00   0.02  15.18) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  12.66 +/- 1.39   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  19.25 +/- 3.30   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  25.36 +/- 1.79   0.000% *  0.9434% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.46 +/- 1.78   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.08 +/- 2.88   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  21.12 +/- 1.48   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.61 +/- 1.33   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  23.07 +/- 1.79   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 = 0.652, support = 5.56, residual support = 191.0:
    * O T HB2   LEU  115 - HA    LEU  115   2.67 +/- 0.19  23.958% * 63.8902% (0.84  10.0 10.00   6.15 228.22) =  75.034%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.12  57.287% *  5.3954% (0.07  10.0 10.00   3.16  44.28) =  15.152%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.86 +/- 0.22  16.601% *  9.9598% (0.13  10.0  1.00   4.76 157.64) =   8.105%  kept
        T QB    GLU- 114 - HA    LEU  115   4.25 +/- 0.42   1.765% * 19.7195% (0.26   1.0 10.00   4.63  15.18) =   1.706%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.74 +/- 0.30   0.241% *  0.1748% (0.23   1.0 10.00   0.02  15.18) =   0.002%
          HG3   PRO   58 - HA    ARG+  54   6.52 +/- 0.73   0.129% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.47 +/- 0.59   0.004% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.13 +/- 1.20   0.006% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.08 +/- 0.89   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.90 +/- 1.28   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.49 +/- 2.86   0.001% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.35 +/- 1.24   0.001% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.30 +/- 1.23   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.42 +/- 1.27   0.000% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.59 +/- 0.78   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.11 +/- 1.15   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.64 +/- 1.50   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.51 +/- 1.19   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.67 +/- 1.11   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.64 +/- 3.15   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.48 +/- 0.87   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.33 +/- 1.55   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.93 +/- 1.40   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.70 +/- 1.37   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.342, support = 6.28, residual support = 228.2:
      O T HB3   LEU  115 - HA    LEU  115   2.30 +/- 0.14  91.816% * 25.2077% (0.26  10.0 10.00   6.29 228.22) =  82.015%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.70 +/- 0.32   7.163% * 70.8443% (0.72  10.0 10.00   6.22 228.22) =  17.982%  kept
        T HG    LEU  115 - HA    GLU- 114   6.26 +/- 0.77   0.311% *  0.1938% (0.20   1.0 10.00   0.02  15.18) =   0.002%
        T HB3   LEU  115 - HA    GLU- 114   6.38 +/- 0.30   0.253% *  0.0690% (0.07   1.0 10.00   0.02  15.18) =   0.001%
          QB    ALA  120 - HA    LEU  115   7.45 +/- 0.47   0.104% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.51 +/- 1.34   0.009% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.47 +/- 0.49   0.098% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.31 +/- 1.41   0.079% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.30 +/- 1.13   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.36 +/- 0.73   0.007% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.53 +/- 2.11   0.002% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   9.09 +/- 2.63   0.144% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.18 +/- 1.12   0.002% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.24 +/- 1.73   0.001% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.00 +/- 1.89   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  14.08 +/- 1.08   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  20.34 +/- 0.74   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.32 +/- 1.15   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.53 +/- 1.24   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.56 +/- 1.24   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.02 +/- 1.47   0.003% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.01 +/- 1.01   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.47 +/- 1.31   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  21.84 +/- 1.61   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.67 +/- 1.08   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.09 +/- 2.49   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.51 +/- 0.86   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  19.93 +/- 1.39   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.43 +/- 1.08   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.59 +/- 1.32   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.825, support = 6.13, residual support = 224.6:
    *   T QD1   LEU  115 - HA    LEU  115   3.93 +/- 0.44  92.705% * 78.0672% (0.84 10.00   6.15 228.22) =  98.319%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.34 +/- 0.67   5.764% * 21.3596% (0.23 10.00   4.45  15.18) =   1.673%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.30 +/- 0.61   1.366% *  0.4377% (0.47 10.00   0.02   0.02) =   0.008%
          QG1   VAL   75 - HA    LEU  115  13.98 +/- 1.15   0.055% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  12.84 +/- 0.76   0.093% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.01 +/- 1.25   0.016% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.801, support = 7.37, residual support = 226.3:
    *   T QD2   LEU  115 - HA    LEU  115   3.08 +/- 0.30  86.181% * 77.6784% (0.81 10.00   7.40 228.22) =  99.112%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.84 +/- 0.49   2.786% * 21.2532% (0.22 10.00   4.45  15.18) =   0.877%  kept
          QD1   LEU   63 - HA    LEU  115   5.95 +/- 1.56   8.683% *  0.0761% (0.79  1.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - HA    LEU  115   6.99 +/- 1.47   1.750% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HA    ARG+  54   9.74 +/- 1.03   0.121% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   9.59 +/- 1.59   0.194% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  10.69 +/- 0.85   0.056% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  11.66 +/- 0.83   0.034% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  10.18 +/- 1.57   0.124% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  14.97 +/- 0.99   0.007% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.88 +/- 1.56   0.025% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.85 +/- 0.70   0.017% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  16.27 +/- 1.36   0.004% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  19.27 +/- 3.40   0.002% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.86 +/- 0.82   0.004% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.84 +/- 2.31   0.003% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  16.76 +/- 1.20   0.004% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.05 +/- 1.34   0.003% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.30 +/- 0.85   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  22.30 +/- 3.36   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.43 +/- 2.54   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.15, residual support = 228.2:
    * O T HA    LEU  115 - HB2   LEU  115   2.67 +/- 0.19  98.826% * 98.0930% (0.84  10.0 10.00   6.15 228.22) =  99.995%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.74 +/- 0.30   1.152% *  0.4006% (0.34   1.0 10.00   0.02  15.18) =   0.005%
        T HA    ARG+  54 - HB2   LEU  115  11.47 +/- 0.59   0.019% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  16.40 +/- 0.93   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.37 +/- 1.14   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.06 +/- 1.25   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.64 +/- 1.00   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  23.67 +/- 1.85   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  29.28 +/- 1.09   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.427, support = 6.15, residual support = 228.2:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  91.298% * 25.8976% (0.31  10.0 10.00   6.14 228.22) =  78.891%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.64 +/- 0.22   8.692% * 72.7830% (0.87  10.0 10.00   6.19 228.22) =  21.109%  kept
          QB    ALA  120 - HB2   LEU  115   8.75 +/- 0.70   0.007% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.18 +/- 1.10   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.54 +/- 1.34   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  16.09 +/- 1.03   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.79 +/- 2.12   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.11 +/- 1.06   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.49 +/- 1.42   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.90 +/- 0.83   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   2.33 +/- 0.22  99.997% * 99.9055% (1.00  10.0 10.00   6.00 228.22) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.06 +/- 1.03   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.2:
    * O T QD2   LEU  115 - HB2   LEU  115   2.96 +/- 0.38  97.933% * 99.5578% (0.97  10.0 10.00   7.24 228.22) =  99.998%  kept
          QD1   LEU   63 - HB2   LEU  115   6.69 +/- 1.42   1.661% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   LEU  115   8.13 +/- 1.37   0.379% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  13.58 +/- 0.85   0.015% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  15.83 +/- 1.13   0.006% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  19.19 +/- 2.95   0.003% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  17.93 +/- 2.12   0.003% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.22, residual support = 228.2:
    * O T HA    LEU  115 - HG    LEU  115   3.70 +/- 0.32  92.861% * 97.1402% (0.72  10.0 10.00   6.22 228.22) =  99.973%  kept
        T HA    GLU- 114 - HG    LEU  115   6.26 +/- 0.77   5.515% *  0.3967% (0.30   1.0 10.00   0.02  15.18) =   0.024%
        T HA    ARG+  54 - HG    LEU  115  11.51 +/- 1.34   0.190% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HG    LEU   40   8.84 +/- 0.79   0.626% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.18 +/- 1.12   0.035% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.43 +/- 1.22   0.582% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  14.40 +/- 3.01   0.060% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  15.69 +/- 1.19   0.019% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.00 +/- 1.89   0.013% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  13.91 +/- 1.16   0.042% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  21.84 +/- 1.61   0.003% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.76 +/- 0.89   0.044% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.30 +/- 1.58   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.82 +/- 1.31   0.002% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  24.08 +/- 1.39   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  24.84 +/- 2.63   0.001% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  26.01 +/- 1.90   0.001% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.72 +/- 1.47   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 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   2.64 +/- 0.22  97.645% * 98.2266% (0.87  10.0 10.00   6.19 228.22) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   8.17 +/- 1.69   0.237% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   5.73 +/- 0.78   1.893% *  0.0303% (0.27   1.0  1.00   0.02  15.18) =   0.001%
          HG3   PRO   58 - HG    LEU  115   8.78 +/- 1.47   0.117% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.76 +/- 0.95   0.004% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  16.09 +/- 1.03   0.003% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.75 +/- 2.07   0.048% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.56 +/- 1.34   0.012% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.58 +/- 1.16   0.019% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.07 +/- 1.85   0.011% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  16.73 +/- 1.84   0.003% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.31 +/- 2.65   0.002% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.25 +/- 1.94   0.005% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.60 +/- 1.57   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.29 +/- 1.48   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.18 +/- 1.52   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.07, residual support = 228.2:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  99.996% * 99.5358% (0.87  10.0 10.00   6.07 228.22) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  14.09 +/- 1.12   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.94 +/- 1.84   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.74 +/- 1.10   0.001% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.27, residual support = 228.2:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  91.971% * 99.0740% (0.84  10.0 10.00   7.27 228.22) =  99.997%  kept
          QD1   LEU  104 - HG    LEU   40   4.51 +/- 1.28   7.126% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HG    LEU  115   6.86 +/- 1.41   0.420% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   6.84 +/- 1.26   0.316% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.18 +/- 1.35   0.072% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   8.07 +/- 1.23   0.062% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.53 +/- 0.95   0.027% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.71 +/- 1.57   0.003% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.91 +/- 0.87   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.45 +/- 1.45   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  20.05 +/- 3.50   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  18.19 +/- 4.04   0.000% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  18.97 +/- 2.70   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  17.15 +/- 2.21   0.000% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.823, support = 6.11, residual support = 222.9:
    *   T HA    LEU  115 - QD1   LEU  115   3.93 +/- 0.44  92.785% * 70.2377% (0.84 10.00   6.15 228.22) =  97.508%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.34 +/- 0.67   5.769% * 28.6837% (0.34 10.00   4.45  15.18) =   2.476%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.30 +/- 0.61   1.368% *  0.7762% (0.92 10.00   0.02   0.02) =   0.016%
          HA    ALA  124 - QD1   LEU  115  14.13 +/- 0.66   0.051% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.07 +/- 1.27   0.006% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  20.23 +/- 0.96   0.006% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.45 +/- 1.27   0.007% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  19.74 +/- 1.75   0.007% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  25.04 +/- 1.14   0.002% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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   2.33 +/- 0.22  96.004% * 99.6279% (1.00  10.0 10.00   6.00 228.22) =  99.998%  kept
          HG3   PRO   58 - QD1   LEU  115   6.23 +/- 1.53   1.069% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   LEU  115   5.41 +/- 0.77   2.887% *  0.0307% (0.31   1.0  1.00   0.02  15.18) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.17 +/- 0.53   0.028% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.42 +/- 1.09   0.005% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  13.38 +/- 1.54   0.004% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.56 +/- 2.17   0.003% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.83 +/- 1.30   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 6.08, residual support = 228.2:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  72.300% * 72.7830% (0.87  10.0 10.00   6.07 228.22) =  88.022%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.52 +/- 0.25  27.651% * 25.8976% (0.31  10.0 10.00   6.14 228.22) =  11.978%  kept
          QB    ALA  120 - QD1   LEU  115   7.81 +/- 0.59   0.033% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  14.90 +/- 1.00   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  14.09 +/- 1.12   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.84 +/- 0.77   0.008% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  12.01 +/- 1.66   0.003% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.14 +/- 1.79   0.002% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.92 +/- 1.46   0.001% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  17.47 +/- 1.07   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.2:
    * O T QD2   LEU  115 - QD1   LEU  115   2.02 +/- 0.08  97.861% * 99.5578% (0.97  10.0 10.00   7.24 228.22) =  99.998%  kept
          QD1   LEU   63 - QD1   LEU  115   5.59 +/- 1.15   2.016% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QD1   LEU  115   6.91 +/- 1.03   0.118% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.22 +/- 0.65   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.49 +/- 1.26   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  16.00 +/- 2.46   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  15.23 +/- 1.93   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 = 0.799, support = 7.35, residual support = 225.0:
    *   T HA    LEU  115 - QD2   LEU  115   3.08 +/- 0.30  96.189% * 70.2377% (0.81 10.00   7.40 228.22) =  98.481%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.84 +/- 0.49   3.630% * 28.6837% (0.33 10.00   4.45  15.18) =   1.518%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.74 +/- 1.03   0.140% *  0.7762% (0.89 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD2   LEU  115  11.94 +/- 0.94   0.034% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  19.80 +/- 1.29   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.18 +/- 1.35   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.40 +/- 1.34   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  21.00 +/- 1.79   0.001% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.87 +/- 1.57   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.15 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   2.96 +/- 0.38  95.285% * 99.6279% (0.97  10.0 10.00   7.24 228.22) =  99.997%  kept
          HG3   PRO   58 - QD2   LEU  115   7.00 +/- 1.35   1.639% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD2   LEU  115   5.58 +/- 0.74   2.875% *  0.0307% (0.30   1.0  1.00   0.02  15.18) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  11.09 +/- 1.34   0.060% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.02 +/- 2.50   0.061% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.87 +/- 1.05   0.056% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  13.14 +/- 1.55   0.020% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.37 +/- 1.48   0.005% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.775, support = 7.28, residual support = 228.2:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  72.974% * 72.7830% (0.84  10.0 10.00   7.27 228.22) =  88.451%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.58 +/- 0.40  26.777% * 25.8976% (0.30  10.0 10.00   7.34 228.22) =  11.549%  kept
          QB    ALA  120 - QD2   LEU  115   5.98 +/- 0.68   0.205% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.48 +/- 1.44   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   7.90 +/- 1.10   0.031% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.71 +/- 1.57   0.002% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.67 +/- 1.95   0.004% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.39 +/- 1.69   0.004% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.11 +/- 1.48   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.40 +/- 1.15   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.2:
    * O T QD1   LEU  115 - QD2   LEU  115   2.02 +/- 0.08  99.998% * 99.9055% (0.97  10.0 10.00   7.24 228.22) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.42 +/- 1.32   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 = 123.7:
    * O T HB2   GLN  116 - HA    GLN  116   2.92 +/- 0.11  99.771% * 98.6426% (1.00  10.0 10.00   5.31 123.66) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.23 +/- 1.73   0.215% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.17 +/- 1.27   0.013% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  22.85 +/- 1.47   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  26.70 +/- 1.59   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  23.73 +/- 1.66   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 123.7:
    * O T HG2   GLN  116 - HA    GLN  116   2.29 +/- 0.37  99.942% * 99.8732% (1.00  10.0 10.00   5.26 123.66) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116   9.87 +/- 0.82   0.058% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  30.60 +/- 1.19   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 123.7:
    * O T HA    GLN  116 - HB2   GLN  116   2.92 +/- 0.11  99.996% * 98.1197% (1.00  10.0 10.00   5.31 123.66) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.05 +/- 1.52   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.31 +/- 1.05   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.34 +/- 1.14   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.00 +/- 1.05   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.94 +/- 1.42   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.97 +/- 1.06   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.41 +/- 1.62   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  31.06 +/- 2.23   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 123.7:
    * O T HG2   GLN  116 - HB2   GLN  116   2.74 +/- 0.12  99.981% * 99.8732% (1.00  10.0 10.00   5.84 123.66) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.61 +/- 0.63   0.019% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  32.31 +/- 1.20   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 123.7:
    * O T HA    GLN  116 - HG2   GLN  116   2.29 +/- 0.37  99.998% * 99.5202% (1.00  10.0 10.00   5.26 123.66) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.00 +/- 2.12   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  18.99 +/- 1.65   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  19.35 +/- 2.00   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.23 +/- 1.21   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.56 +/- 1.89   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  29.55 +/- 1.47   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.69 +/- 2.13   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  30.37 +/- 1.40   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 123.7:
    * O T HB2   GLN  116 - HG2   GLN  116   2.74 +/- 0.12  99.743% * 99.6852% (1.00  10.0 10.00   5.84 123.66) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   8.94 +/- 2.00   0.252% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.92 +/- 1.42   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  24.64 +/- 1.65   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.33 +/- 1.81   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.11 +/- 1.70   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 0.22 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 = 1.21, residual support = 15.1:
    * O T QB    SER  117 - HA    SER  117   2.42 +/- 0.11  98.835% * 98.0631% (1.00  10.0 10.00   1.21  15.13) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   6.27 +/- 0.92   0.551% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER  117   5.76 +/- 0.37   0.608% *  0.0403% (0.41   1.0  1.00   0.02   5.54) =   0.000%
          HA    PHE   60 - HA    SER  117  13.28 +/- 0.93   0.004% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.23 +/- 1.18   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.50 +/- 0.97   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.95 +/- 0.80   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  28.46 +/- 1.97   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.55 +/- 1.40   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.21, residual support = 15.1:
    * O T HA    SER  117 - QB    SER  117   2.42 +/- 0.11  99.913% * 99.1287% (1.00  10.0 10.00   1.21  15.13) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.32 +/- 0.55   0.068% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.82 +/- 1.23   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.30 +/- 0.61   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.24 +/- 0.96   0.008% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.93 +/- 1.12   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.95 +/- 0.80   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  17.76 +/- 1.72   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.61 +/- 1.16   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  16.18 +/- 1.81   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  28.46 +/- 1.97   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.50 +/- 1.14   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.55 +/- 1.02   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.57 +/- 0.95   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  26.77 +/- 0.69   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.63, residual support = 257.5:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.02  99.847% * 99.2403% (0.87  10.0 10.00   6.63 257.46) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  13.33 +/- 1.94   0.047% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  11.86 +/- 1.50   0.035% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.12 +/- 1.67   0.023% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  12.41 +/- 1.81   0.033% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.10 +/- 1.15   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.08 +/- 2.26   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.61 +/- 1.17   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.45 +/- 1.02   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  19.98 +/- 1.64   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.45 +/- 1.63   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.10 +/- 1.23   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.96, residual support = 257.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.52 +/- 0.11  98.744% * 99.7168% (1.00  10.0 10.00   6.96 257.46) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   7.56 +/- 2.75   1.129% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   8.91 +/- 1.56   0.083% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  13.36 +/- 2.06   0.015% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  12.82 +/- 1.68   0.008% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.03 +/- 1.50   0.019% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.97 +/- 1.25   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.93, residual support = 257.5:
    * O T HG12  ILE  119 - HA    ILE  119   2.71 +/- 0.25  99.514% * 99.4466% (1.00  10.0 10.00   6.93 257.46) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   7.78 +/- 1.98   0.453% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.50 +/- 1.21   0.013% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.17 +/- 1.07   0.014% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  17.81 +/- 1.57   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  15.96 +/- 1.15   0.003% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.95 +/- 1.69   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.16 +/- 0.95   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.19 +/- 1.58   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.85 +/- 0.92   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.33 +/- 1.76   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 257.5:
    * O T HG13  ILE  119 - HA    ILE  119   3.04 +/- 0.58  88.102% * 99.6771% (1.00  10.0 10.00   6.16 257.46) =  99.998%  kept
          QG1   VAL  107 - HA    ILE  119   5.45 +/- 1.11   9.723% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HA    ILE  119   7.01 +/- 0.44   0.985% *  0.0308% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.06 +/- 0.89   1.143% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  12.65 +/- 1.72   0.039% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.61 +/- 1.03   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  20.42 +/- 1.96   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  18.79 +/- 1.60   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.05, residual support = 257.5:
    *   T QD1   ILE  119 - HA    ILE  119   3.09 +/- 0.79  99.666% * 99.2846% (0.97 10.00   6.05 257.46) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119   9.69 +/- 1.81   0.230% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.78 +/- 1.61   0.096% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.21 +/- 1.45   0.007% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.59, residual support = 252.8:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.02  97.773% * 50.8167% (0.87  10.0 10.00   6.63 257.46) =  97.862%  kept
        T HA    THR  118 - HB    ILE  119   5.65 +/- 0.11   2.214% * 49.0416% (0.84   1.0 10.00   4.69  40.21) =   2.138%  kept
          HA2   GLY  109 - HB    ILE  119  14.42 +/- 1.37   0.011% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.88 +/- 1.70   0.000% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  24.83 +/- 1.15   0.000% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.61 +/- 1.19   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 257.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.939% * 99.7168% (0.87  10.0 10.00   6.31 257.46) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   9.44 +/- 2.75   0.050% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.46 +/- 2.12   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.42 +/- 1.30   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.20 +/- 1.36   0.006% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.57 +/- 1.05   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.31 +/- 1.59   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.97, residual support = 257.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.55 +/- 0.12  99.929% * 99.4466% (0.87  10.0 10.00   5.97 257.46) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   9.29 +/- 1.42   0.059% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.74 +/- 1.26   0.005% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.63 +/- 1.55   0.004% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.71 +/- 1.84   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  17.95 +/- 1.05   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.37 +/- 1.18   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.75 +/- 1.70   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.65 +/- 1.50   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.02 +/- 1.11   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.20 +/- 1.77   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.57, residual support = 257.4:
    * O T HG13  ILE  119 - HB    ILE  119   2.71 +/- 0.35  96.993% * 99.4020% (0.87  10.0 10.00   5.57 257.46) =  99.995%  kept
        T QG1   VAL  107 - HB    ILE  119   5.68 +/- 0.95   2.141% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL  107 - HB    ILE  119   7.01 +/- 1.08   0.630% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119  10.48 +/- 1.89   0.109% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.52 +/- 0.34   0.125% *  0.0307% (0.27   1.0  1.00   0.02   2.95) =   0.000%
          QB    ALA   20 - HB    ILE  119  19.08 +/- 1.29   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.03 +/- 1.71   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  20.41 +/- 1.49   0.001% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 257.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.68 +/- 0.43  99.903% * 99.2846% (0.84  10.0 10.00   5.44 257.46) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.33 +/- 1.31   0.070% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  11.98 +/- 1.46   0.026% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.80 +/- 1.58   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 256.3:
    * O T HA    ILE  119 - QG2   ILE  119   2.52 +/- 0.11  99.448% * 50.8167% (1.00  10.0 10.00   6.96 257.46) =  99.474%  kept
        T HA    THR  118 - QG2   ILE  119   6.03 +/- 0.05   0.545% * 49.0416% (0.97   1.0 10.00   4.50  40.21) =   0.526%  kept
          HA2   GLY  109 - QG2   ILE  119  13.53 +/- 1.10   0.005% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  20.43 +/- 1.40   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  21.38 +/- 1.00   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  17.12 +/- 1.20   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 257.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.926% * 99.2403% (0.87  10.0 10.00   6.31 257.46) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.95 +/- 1.96   0.053% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.61 +/- 1.11   0.008% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.77 +/- 1.20   0.003% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.24 +/- 1.46   0.006% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.09 +/- 1.30   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  13.72 +/- 1.22   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.66 +/- 1.26   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  17.83 +/- 2.00   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  18.26 +/- 1.54   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  19.35 +/- 1.65   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.21 +/- 1.28   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 257.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.20 +/- 0.05  99.480% * 99.4466% (1.00  10.0 10.00   6.28 257.46) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.84 +/- 1.40   0.338% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  11.31 +/- 1.40   0.080% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.34 +/- 1.23   0.064% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.68 +/- 0.98   0.019% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.82 +/- 1.66   0.010% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.66 +/- 1.46   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  19.41 +/- 1.06   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.62 +/- 1.46   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.13 +/- 1.16   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.90 +/- 1.57   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 = 5.87, residual support = 257.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.48 +/- 0.19  98.923% * 99.6771% (1.00  10.0 10.00   5.87 257.46) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   6.03 +/- 0.73   0.635% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.56 +/- 0.30   0.140% *  0.0308% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.04 +/- 0.85   0.252% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.94 +/- 1.73   0.046% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  15.31 +/- 1.21   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.06 +/- 1.63   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.18 +/- 1.26   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 257.5:
    *   T QD1   ILE  119 - QG2   ILE  119   1.97 +/- 0.16  99.983% * 99.8078% (0.97 10.00   5.75 257.46) = 100.000%  kept
          QG2   VAL  108 - QG2   ILE  119  10.60 +/- 1.19   0.010% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   ILE  119  10.34 +/- 1.44   0.007% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  15.79 +/- 1.46   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.9, residual support = 253.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.71 +/- 0.25  97.934% * 50.8167% (1.00  10.0 10.00   6.93 257.46) =  98.021%  kept
        T HA    THR  118 - HG12  ILE  119   5.30 +/- 0.17   2.049% * 49.0416% (0.97   1.0 10.00   5.61  40.21) =   1.979%  kept
          HA2   GLY  109 - HG12  ILE  119  12.82 +/- 1.25   0.016% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  22.05 +/- 1.35   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  22.52 +/- 1.20   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.25 +/- 1.14   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.97, residual support = 257.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.55 +/- 0.12  99.873% * 98.6651% (0.87  10.0 10.00   5.97 257.46) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.75 +/- 1.46   0.054% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.31 +/- 0.98   0.002% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  10.30 +/- 1.89   0.048% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.84 +/- 1.32   0.014% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.89 +/- 1.90   0.005% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  17.30 +/- 1.35   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  20.83 +/- 1.93   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.73 +/- 1.24   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.59 +/- 1.69   0.000% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  22.04 +/- 1.64   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  26.92 +/- 1.33   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 257.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.20 +/- 0.05  98.701% * 99.7168% (1.00  10.0 10.00   6.28 257.46) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   8.77 +/- 2.54   1.039% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.27 +/- 2.11   0.030% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.17 +/- 1.33   0.144% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.07 +/- 1.27   0.026% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.51 +/- 1.02   0.053% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  16.18 +/- 1.39   0.007% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.25 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 = 5.6, residual support = 257.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  98.207% * 99.6771% (1.00  10.0 10.00   5.60 257.46) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.24 +/- 0.88   1.498% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.38 +/- 0.98   0.284% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119  10.28 +/- 1.73   0.005% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.94 +/- 0.36   0.006% *  0.0308% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          QB    ALA   20 - HG12  ILE  119  17.38 +/- 1.20   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.26 +/- 1.69   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.50 +/- 1.52   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.52, residual support = 257.5:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.957% * 99.8078% (0.97  10.0 10.00   5.52 257.46) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.78 +/- 1.33   0.036% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.15 +/- 1.34   0.007% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.42 +/- 1.57   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.14, residual support = 254.1:
    * O T HA    ILE  119 - HG13  ILE  119   3.04 +/- 0.58  98.394% * 50.8167% (1.00  10.0 10.00   6.16 257.46) =  98.477%  kept
        T HA    THR  118 - HG13  ILE  119   6.50 +/- 0.39   1.577% * 49.0416% (0.97   1.0 10.00   4.58  40.21) =   1.523%  kept
          HA2   GLY  109 - HG13  ILE  119  13.90 +/- 1.20   0.025% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  22.37 +/- 1.34   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  23.22 +/- 1.21   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.54 +/- 1.53   0.003% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.57, residual support = 257.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.71 +/- 0.35  99.874% * 99.2403% (0.87  10.0 10.00   5.57 257.46) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  10.76 +/- 1.67   0.035% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  10.93 +/- 1.81   0.056% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.17 +/- 2.24   0.011% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.13 +/- 1.25   0.010% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.21 +/- 1.06   0.004% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.74 +/- 1.92   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  17.09 +/- 1.94   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.76 +/- 2.04   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.26 +/- 1.86   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  22.15 +/- 2.03   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  27.31 +/- 1.74   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 257.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.48 +/- 0.19  99.372% * 99.7168% (1.00  10.0 10.00   5.87 257.46) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   8.35 +/- 2.72   0.585% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.07 +/- 2.35   0.007% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.53 +/- 1.43   0.024% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.98 +/- 1.21   0.003% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.44 +/- 0.98   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  16.07 +/- 1.91   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 257.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.990% * 99.4466% (1.00  10.0 10.00   5.60 257.46) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   9.47 +/- 1.27   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.61 +/- 2.14   0.002% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.65 +/- 1.59   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.45 +/- 1.83   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.60 +/- 1.61   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.05 +/- 1.23   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.19 +/- 2.30   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.88 +/- 1.86   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.90 +/- 1.37   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.96 +/- 2.13   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.12, residual support = 257.5:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.983% * 99.8078% (0.97  10.0 10.00   5.12 257.46) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.82 +/- 1.25   0.012% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  11.94 +/- 1.25   0.004% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.86 +/- 1.82   0.001% *  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 = 6.04, residual support = 256.2:
    *   T HA    ILE  119 - QD1   ILE  119   3.09 +/- 0.79  97.234% * 81.8629% (0.97 10.00   6.05 257.46) =  99.416%  kept
          HA    THR  118 - QD1   ILE  119   6.09 +/- 0.36   2.630% * 17.7798% (0.93  1.00   4.50  40.21) =   0.584%  kept
          HA2   GLY  109 - QD1   ILE  119  11.29 +/- 1.21   0.112% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.18 +/- 1.34   0.015% *  0.1434% (0.17 10.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.96 +/- 1.34   0.007% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  19.00 +/- 1.04   0.003% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 257.5:
    * O T HB    ILE  119 - QD1   ILE  119   2.68 +/- 0.43  99.479% * 98.5836% (0.84  10.0 10.00   5.44 257.46) =  99.999%  kept
        T HB    VAL  108 - QD1   ILE  119  10.85 +/- 1.40   0.078% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE  119  11.97 +/- 1.72   0.117% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   8.95 +/- 1.01   0.150% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   8.81 +/- 1.44   0.132% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.89 +/- 1.30   0.018% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.01 +/- 1.11   0.009% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  14.00 +/- 1.08   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  18.20 +/- 2.11   0.003% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.38 +/- 1.75   0.003% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.49 +/- 1.82   0.002% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  22.64 +/- 1.62   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 257.5:
    *   T QG2   ILE  119 - QD1   ILE  119   1.97 +/- 0.16  99.665% * 99.7168% (0.97 10.00   5.75 257.46) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.17 +/- 2.24   0.293% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  11.84 +/- 2.04   0.009% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  11.92 +/- 1.54   0.004% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.10 +/- 1.45   0.020% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.72 +/- 1.29   0.007% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.01 +/- 1.42   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 = 5.52, residual support = 257.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.883% * 99.4466% (0.97  10.0 10.00   5.52 257.46) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   8.40 +/- 1.58   0.072% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.48 +/- 1.43   0.024% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.45 +/- 1.57   0.015% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.34 +/- 1.73   0.003% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.92 +/- 0.96   0.001% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.14 +/- 1.13   0.000% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.63 +/- 1.38   0.000% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.59 +/- 1.67   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.99 +/- 1.14   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.35 +/- 1.41   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 = 5.12, residual support = 257.5:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  94.558% * 99.6771% (0.97  10.0 10.00   5.12 257.46) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   4.60 +/- 0.95   4.469% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   5.24 +/- 1.05   0.857% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   8.41 +/- 1.76   0.090% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.67 +/- 0.67   0.024% *  0.0308% (0.30   1.0  1.00   0.02   2.95) =   0.000%
          QB    ALA   20 - QD1   ILE  119  14.12 +/- 1.18   0.001% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.36 +/- 1.92   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  15.77 +/- 1.53   0.001% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.35, residual support = 13.9:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.720% * 99.2082% (0.95  10.0 10.00   2.35  13.89) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.17 +/- 0.74   0.242% *  0.1618% (0.15   1.0 10.00   0.02   1.62) =   0.000%
          HG    LEU  115 - HA    ALA  120  10.25 +/- 1.10   0.011% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  11.65 +/- 3.10   0.012% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.53 +/- 0.69   0.008% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.81 +/- 1.84   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.64 +/- 2.39   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.30 +/- 2.54   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.87 +/- 0.85   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.87 +/- 0.97   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 = 2.35, residual support = 13.9:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  96.227% * 99.3786% (0.95  10.0 10.00   2.35  13.89) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.88 +/- 0.04   2.661% *  0.0759% (0.72   1.0  1.00   0.02   1.62) =   0.002%
          QB    SER  117 - QB    ALA  120   4.65 +/- 0.41   1.108% *  0.0409% (0.39   1.0  1.00   0.02   5.54) =   0.000%
          HA    LYS+  65 - QB    ALA  120  13.62 +/- 1.15   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.56 +/- 0.74   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.56 +/- 1.26   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.21 +/- 1.31   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.40 +/- 0.66   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.98 +/- 1.18   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  25.35 +/- 1.31   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.96, support = 8.04, residual support = 309.3:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.93 +/- 0.15  60.585% * 79.0038% (1.00  10.0 10.00   8.21 316.40) =  95.810%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.26 +/- 0.47  37.632% *  4.9477% (0.06   1.0 10.00   4.75 164.04) =   3.727%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.45 +/- 0.62   1.704% * 13.5793% (0.31   1.0 10.00   1.11   2.52) =   0.463%
        T QD    LYS+ 102 - HA    LYS+ 121  14.38 +/- 3.26   0.010% *  0.4157% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.51 +/- 2.21   0.005% *  0.7883% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  16.54 +/- 2.66   0.003% *  0.7085% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.54 +/- 1.65   0.002% *  0.2197% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.47 +/- 2.06   0.006% *  0.0496% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.47 +/- 1.32   0.008% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  18.45 +/- 2.08   0.002% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.86 +/- 0.99   0.002% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.06 +/- 0.94   0.014% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.14 +/- 0.87   0.023% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.55 +/- 2.13   0.001% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.47 +/- 1.29   0.001% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  27.37 +/- 2.83   0.000% *  0.0774% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.55 +/- 1.51   0.000% *  0.0261% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.08 +/- 1.56   0.000% *  0.0138% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.38 +/- 1.83   0.002% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.22 +/- 0.86   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 316.4:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.49 +/- 0.41  99.850% * 99.6412% (1.00  10.0 10.00   7.27 316.40) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.29 +/- 0.39   0.030% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.99 +/- 0.29   0.067% *  0.0308% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  13.73 +/- 2.37   0.008% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.02 +/- 2.74   0.006% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.53 +/- 1.07   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.61 +/- 1.58   0.021% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.44 +/- 0.89   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.88 +/- 0.90   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  21.27 +/- 2.65   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.46 +/- 1.32   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  21.28 +/- 1.21   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 316.4:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.24  97.950% * 99.4380% (1.00  10.0 10.00   6.68 316.40) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.15 +/- 0.24   1.445% *  0.0484% (0.49   1.0  1.00   0.02   2.52) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  15.52 +/- 1.39   0.016% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.95 +/- 1.22   0.048% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  11.26 +/- 0.71   0.097% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.21 +/- 2.63   0.027% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65   9.92 +/- 1.95   0.353% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.37 +/- 0.72   0.057% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  20.84 +/- 2.55   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.96 +/- 1.22   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.596, support = 7.72, residual support = 303.6:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.57 +/- 0.24  46.069% * 21.3664% (0.31  10.0 10.00   8.23 316.40) =  47.122%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.59 +/- 0.70  13.448% * 69.2258% (1.00   1.0 10.00   7.65 316.40) =  44.567%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.70 +/- 0.53  39.900% *  4.3065% (0.06  10.0 10.00   5.27 164.04) =   8.226%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.84 +/- 0.78   0.505% *  3.4792% (0.05   1.0 10.00   5.45  25.52) =   0.084%
        T QD    LYS+  66 - HA    LYS+ 121  11.22 +/- 2.93   0.016% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121   9.91 +/- 2.70   0.035% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.41 +/- 2.01   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.75 +/- 2.90   0.004% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.06 +/- 2.25   0.006% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.41 +/- 1.12   0.005% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.36 +/- 1.30   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.97 +/- 1.15   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.21 +/- 2.09   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.53 +/- 0.71   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.48 +/- 1.00   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.35 +/- 1.00   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  16.18 +/- 1.00   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.02 +/- 1.15   0.003% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.00 +/- 1.15   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.39 +/- 1.48   0.000% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 6.67, residual support = 292.7:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.92 +/- 1.10  87.124% * 56.5875% (1.00   6.72 316.40) =  90.989%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.09 +/- 0.51  11.312% * 43.1624% (0.84   6.14  53.20) =   9.011%  kept
          QE    LYS+ 121 - HA    LYS+  65  15.06 +/- 3.31   1.095% *  0.0106% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    LYS+  65  11.69 +/- 2.14   0.429% *  0.0088% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  23.74 +/- 1.39   0.003% *  0.1156% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.48 +/- 1.28   0.026% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  26.03 +/- 2.26   0.002% *  0.0755% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.34 +/- 1.15   0.001% *  0.0260% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.20 +/- 1.03   0.003% *  0.0047% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.14 +/- 1.73   0.005% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.21, residual support = 316.4:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.15  95.007% * 99.1042% (1.00  10.0 10.00   8.21 316.40) =  99.996%  kept
          QB    SER  117 - HB2   LYS+ 121   5.72 +/- 0.85   2.848% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HB2   LYS+ 121   5.57 +/- 0.17   2.102% *  0.0757% (0.76   1.0  1.00   0.02   1.62) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.47 +/- 2.06   0.009% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.79 +/- 0.88   0.025% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.17 +/- 1.32   0.006% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.21 +/- 1.73   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.74 +/- 1.12   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.64 +/- 0.78   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  27.17 +/- 2.13   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.69, residual support = 316.4:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.98 +/- 0.08  99.153% * 99.7211% (1.00  10.0 10.00   7.69 316.40) = 100.000%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.10 +/- 0.43   0.267% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.21 +/- 0.48   0.539% *  0.0308% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  11.82 +/- 2.10   0.039% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.65 +/- 1.01   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  19.65 +/- 2.27   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 316.4:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.68 +/- 0.17  99.770% * 99.0974% (1.00  10.0 10.00   7.12 316.40) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.77 +/- 0.28   0.190% *  0.4824% (0.49   1.0 10.00   0.02   2.52) =   0.001%
        T QD2   LEU   73 - HB2   LYS+ 121  13.82 +/- 1.31   0.007% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  10.95 +/- 1.26   0.032% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  18.98 +/- 2.26   0.001% *  0.0221% (0.22   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 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.618, support = 8.52, residual support = 316.4:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.988% * 23.0703% (0.31  10.0 10.00   8.78 316.40) =  55.259%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.25 +/- 0.21  19.989% * 74.7463% (1.00  10.0 10.00   8.20 316.40) =  44.741%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.83 +/- 3.20   0.007% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   8.97 +/- 2.25   0.013% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.06 +/- 2.13   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.17 +/- 1.14   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.13 +/- 1.81   0.002% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.19 +/- 1.64   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.56 +/- 1.19   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.64 +/- 0.83   0.000% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.984, support = 7.08, residual support = 290.6:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.70 +/- 0.31  86.933% * 57.8799% (1.00   7.17 316.40) =  90.187%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.43 +/- 0.80  13.063% * 41.9120% (0.84   6.22  53.20) =   9.813%  kept
          HG2   GLN   30 - HB2   LYS+ 121  21.90 +/- 1.14   0.002% *  0.1109% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  24.06 +/- 1.96   0.001% *  0.0724% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  26.65 +/- 1.19   0.001% *  0.0249% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 316.4:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.49 +/- 0.41  99.141% * 99.1042% (1.00  10.0 10.00   7.27 316.40) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.97 +/- 1.67   0.481% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.78 +/- 0.28   0.359% *  0.0757% (0.76   1.0  1.00   0.02   1.62) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.02 +/- 2.74   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.13 +/- 1.17   0.009% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.14 +/- 1.58   0.002% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.32 +/- 2.39   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.63 +/- 1.12   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.18 +/- 1.47   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  28.65 +/- 2.47   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.69, residual support = 316.4:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.98 +/- 0.08  99.426% * 99.4783% (1.00  10.0 10.00   7.69 316.40) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.34 +/- 0.65   0.496% *  0.0307% (0.31   1.0  1.00   0.02   2.52) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.07 +/- 2.88   0.022% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  12.99 +/- 3.18   0.037% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  15.77 +/- 2.76   0.007% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.43 +/- 2.11   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.11 +/- 1.11   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.35 +/- 2.39   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.07 +/- 1.52   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  26.38 +/- 3.09   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.4:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.991% * 99.3314% (1.00  10.0 10.00   6.31 316.40) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.59 +/- 0.49   0.008% *  0.0483% (0.49   1.0  1.00   0.02   2.52) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  14.85 +/- 1.68   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  13.02 +/- 1.27   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  19.57 +/- 2.57   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.789, support = 7.36, residual support = 316.4:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.85 +/- 0.12  41.208% * 75.5250% (1.00  10.0 10.00   7.21 316.40) =  69.507%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.68 +/- 0.17  58.571% * 23.3106% (0.31  10.0 10.00   7.70 316.40) =  30.493%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.03 +/- 3.63   0.054% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   LYS+ 121   8.58 +/- 2.70   0.139% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.25 +/- 1.83   0.004% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  11.37 +/- 2.35   0.021% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  17.86 +/- 2.70   0.002% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.63 +/- 1.42   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.62 +/- 1.23   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.03 +/- 1.44   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.4:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.59 +/- 0.47  97.931% * 99.7880% (1.00  10.0   6.31 316.40) =  99.998%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.31 +/- 1.10   2.068% *  0.0833% (0.84   1.0   0.02  53.20) =   0.002%
          HG2   GLN   30 - HG2   LYS+ 121  22.86 +/- 1.72   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  24.71 +/- 2.20   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  28.77 +/- 1.50   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 316.4:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.48 +/- 0.24  93.468% * 98.4706% (1.00  10.0 10.00   6.68 316.40) =  99.995%  kept
          QB    SER  117 - HG3   LYS+ 121   6.54 +/- 1.32   4.499% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA  120 - HG3   LYS+ 121   7.60 +/- 0.19   0.912% *  0.0753% (0.76   1.0  1.00   0.02   1.62) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  11.26 +/- 0.71   0.092% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.21 +/- 2.63   0.027% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  10.35 +/- 1.45   0.220% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  15.52 +/- 1.39   0.016% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.30 +/- 1.09   0.446% *  0.0093% (0.09   1.0  1.00   0.02   1.38) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  10.41 +/- 1.23   0.198% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  15.92 +/- 1.68   0.013% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.69 +/- 0.97   0.031% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.53 +/- 1.09   0.023% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.26 +/- 1.24   0.016% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.07 +/- 1.37   0.012% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  19.50 +/- 2.21   0.005% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  16.19 +/- 1.59   0.013% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.99 +/- 1.21   0.004% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.78 +/- 1.09   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.47 +/- 1.40   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  27.53 +/- 2.68   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 316.4:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.68 +/- 0.17  99.023% * 98.6953% (1.00  10.0 10.00   7.12 316.40) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.29 +/- 0.58   0.136% *  0.3046% (0.31   1.0 10.00   0.02   2.52) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   6.76 +/- 0.76   0.532% *  0.0204% (0.21   1.0  1.00   0.02  40.74) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.16 +/- 2.16   0.179% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  13.82 +/- 1.31   0.007% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.37 +/- 2.93   0.024% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.27 +/- 2.66   0.009% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  12.18 +/- 1.81   0.017% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.88 +/- 1.06   0.016% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  15.72 +/- 2.52   0.004% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.93 +/- 1.09   0.010% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  12.10 +/- 0.90   0.015% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.22 +/- 1.72   0.013% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.52 +/- 1.86   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.39 +/- 2.49   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.77 +/- 0.98   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.41 +/- 1.65   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  15.85 +/- 1.69   0.003% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  25.21 +/- 3.30   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.12 +/- 1.62   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.4:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.911% * 98.9593% (1.00  10.0 10.00   6.31 316.40) = 100.000%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.35 +/- 0.61   0.021% *  0.0938% (0.09   1.0 10.00   0.02   3.25) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.40 +/- 0.56   0.048% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.21 +/- 0.77   0.005% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  10.98 +/- 2.54   0.003% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  14.85 +/- 1.68   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.59 +/- 0.49   0.004% *  0.0305% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  10.78 +/- 0.98   0.002% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.09 +/- 1.05   0.004% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  19.15 +/- 2.54   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.30 +/- 1.65   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.54 +/- 1.21   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.654, support = 6.82, residual support = 316.4:
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.36 +/- 0.10  75.473% * 23.1874% (0.31  10.0 10.00   7.03 316.40) =  50.063%  kept
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.89 +/- 0.10  23.235% * 75.1260% (1.00  10.0 10.00   6.61 316.40) =  49.935%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  12.48 +/- 3.67   0.084% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD2   LEU   73   5.73 +/- 0.67   0.482% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU   73   5.85 +/- 0.49   0.371% *  0.0196% (0.26   1.0  1.00   0.02  40.74) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   7.90 +/- 2.55   0.165% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.94 +/- 0.62   0.060% *  0.0507% (0.07   1.0 10.00   0.02  40.74) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.21 +/- 0.87   0.005% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  14.04 +/- 1.94   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   7.70 +/- 0.96   0.083% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  11.21 +/- 2.09   0.015% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.10 +/- 1.61   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.60 +/- 1.01   0.006% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  10.70 +/- 1.05   0.010% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  17.97 +/- 2.50   0.001% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.33 +/- 1.83   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  19.98 +/- 1.46   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.37 +/- 1.49   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.03 +/- 1.17   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.86 +/- 1.72   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 316.4:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.90 +/- 0.46  85.744% * 99.6820% (1.00  10.0   6.00 316.40) =  99.995%  kept
          HG2   GLN   30 - QD2   LEU   73   4.78 +/- 1.23  13.056% *  0.0233% (0.23   1.0   0.02   5.13) =   0.004%
          HB3   HIS  122 - HG3   LYS+ 121   6.75 +/- 0.76   0.999% *  0.0833% (0.84   1.0   0.02  53.20) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   9.00 +/- 0.44   0.119% *  0.0152% (0.15   1.0   0.02   3.14) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  11.80 +/- 1.76   0.047% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  12.98 +/- 2.45   0.026% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.52 +/- 1.14   0.008% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  22.23 +/- 1.53   0.001% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  23.77 +/- 2.26   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  27.78 +/- 1.59   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.992, support = 7.54, residual support = 306.2:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.59 +/- 0.70  62.106% * 56.2480% (1.00 10.00   7.65 316.40) =  96.766%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.17 +/- 0.74   2.690% * 42.9863% (0.76 10.00   4.23   1.62) =   3.203%  kept
          QB    SER  117 - HD2   LYS+ 121   5.85 +/- 2.19  18.490% *  0.0470% (0.84  1.00   0.02   0.02) =   0.024%
        T HA    LYS+  65 - QD    LYS+  66   5.84 +/- 0.78   6.559% *  0.0239% (0.04 10.00   0.02  25.52) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  66  11.22 +/- 2.93   0.305% *  0.0699% (0.12 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 121  15.75 +/- 2.90   0.105% *  0.1919% (0.34 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  66   9.00 +/- 2.12   4.916% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.81 +/- 2.60   1.391% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.94 +/- 1.50   2.449% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.41 +/- 1.12   0.057% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.29 +/- 1.27   0.082% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  10.62 +/- 1.80   0.132% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.57 +/- 2.59   0.164% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  11.18 +/- 1.17   0.113% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.61 +/- 1.39   0.014% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.60 +/- 1.13   0.328% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  18.47 +/- 2.75   0.016% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  14.64 +/- 1.42   0.024% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.97 +/- 1.15   0.002% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.03 +/- 1.10   0.027% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.95 +/- 1.17   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  17.79 +/- 2.07   0.008% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.12 +/- 1.27   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.20 +/- 1.18   0.006% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.95 +/- 1.33   0.003% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.46 +/- 1.00   0.006% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.29 +/- 1.30   0.002% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  21.46 +/- 1.11   0.002% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  27.42 +/- 1.99   0.000% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  26.95 +/- 1.45   0.001% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.752, support = 6.86, residual support = 281.0:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.25 +/- 0.21  19.978% * 87.6744% (1.00  10.0 10.00   8.20 316.40) =  72.566%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  79.835% *  8.2944% (0.09  10.0  1.00   3.34 187.29) =  27.433%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.45 +/- 1.19   0.082% *  0.1088% (0.12   1.0 10.00   0.02  25.52) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  15.80 +/- 2.93   0.002% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.83 +/- 3.20   0.007% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.03 +/- 0.60   0.023% *  0.0271% (0.31   1.0  1.00   0.02   2.52) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  13.76 +/- 2.74   0.001% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.59 +/- 1.44   0.001% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  16.42 +/- 2.64   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.05 +/- 2.43   0.032% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.81 +/- 2.67   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  11.74 +/- 2.55   0.019% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   8.01 +/- 1.12   0.015% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.49 +/- 1.53   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  15.91 +/- 1.77   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.56 +/- 1.19   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  21.04 +/- 2.77   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.06 +/- 1.11   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.40 +/- 1.17   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  16.47 +/- 2.13   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  18.86 +/- 2.53   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.72 +/- 1.15   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.21 +/- 3.09   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  14.42 +/- 1.23   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  20.03 +/- 1.73   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.86 +/- 1.18   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  25.00 +/- 2.62   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.26 +/- 2.09   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.03 +/- 1.44   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.30 +/- 1.69   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 = 316.4:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.85 +/- 0.12  95.473% * 99.3656% (1.00  10.0 10.00   7.21 316.40) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   6.31 +/- 0.88   1.350% *  0.0124% (0.12   1.0  1.00   0.02   8.19) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   8.54 +/- 0.86   0.160% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.03 +/- 3.63   0.113% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   7.74 +/- 1.00   0.323% *  0.0307% (0.31   1.0  1.00   0.02   2.95) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.45 +/- 2.80   2.468% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  11.99 +/- 2.33   0.028% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.38 +/- 0.93   0.029% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.74 +/- 2.07   0.033% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.63 +/- 1.42   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  19.92 +/- 1.63   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.92 +/- 1.02   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.67 +/- 1.63   0.007% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  19.77 +/- 2.46   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.49 +/- 1.30   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  17.65 +/- 2.41   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.67 +/- 1.07   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  20.34 +/- 1.63   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 316.4:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.89 +/- 0.10  79.925% * 99.1222% (1.00  10.0 10.00   6.61 316.40) =  99.998%  kept
          QD2   LEU  123 - QD    LYS+  66   5.48 +/- 2.54  18.998% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - QD    LYS+  66  12.48 +/- 3.67   0.448% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.94 +/- 0.62   0.222% *  0.0527% (0.05   1.0 10.00   0.02  40.74) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.13 +/- 0.50   0.182% *  0.0482% (0.49   1.0  1.00   0.02   2.52) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  14.04 +/- 1.94   0.010% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.33 +/- 1.56   0.034% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.60 +/- 1.83   0.114% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.21 +/- 0.87   0.018% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.31 +/- 1.63   0.040% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  19.98 +/- 1.46   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  19.13 +/- 2.48   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.55 +/- 1.93   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.34 +/- 1.02   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  19.47 +/- 1.77   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 316.4:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.12  92.252% * 98.9202% (1.00  10.0  1.00   6.53 316.40) =  99.998%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.83 +/- 1.61   2.044% *  0.0826% (0.84   1.0  1.00   0.02  53.20) =   0.002%
          HB3   HIS  122 - QD    LYS+  66   7.98 +/- 3.50   5.588% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD    LYS+  66  10.95 +/- 3.59   0.101% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  13.10 +/- 0.73   0.003% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  22.12 +/- 2.05   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  18.66 +/- 1.42   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.13 +/- 1.48   0.010% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.74 +/- 1.42   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.94 +/- 1.93   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  24.21 +/- 2.05   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.66 +/- 0.74   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.05 +/- 1.21   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  23.80 +/- 1.20   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.00 +/- 1.79   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 72.7:
    * O T HB2   HIS  122 - HA    HIS  122   2.57 +/- 0.26  99.997% * 99.8210% (1.00  10.0 10.00   3.44  72.69) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.88 +/- 0.69   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.63 +/- 1.57   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.53, residual support = 72.3:
    * O T HB3   HIS  122 - HA    HIS  122   2.58 +/- 0.24  86.516% * 87.7182% (1.00  10.0 10.00   3.53  72.69) =  97.878%  kept
          QE    LYS+ 121 - HA    HIS  122   5.32 +/- 1.93  13.483% * 12.2004% (0.84   1.0  1.00   3.33  53.20) =   2.122%  kept
          HG2   GLN   30 - HA    HIS  122  20.44 +/- 1.90   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  23.63 +/- 2.63   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.07 +/- 1.21   0.000% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 72.7:
    * O T HA    HIS  122 - HB2   HIS  122   2.57 +/- 0.26  99.968% * 99.8702% (1.00  10.0 10.00   3.44  72.69) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  11.04 +/- 2.84   0.030% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.51 +/- 1.36   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  20.30 +/- 1.19   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 72.7:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.719% * 99.8240% (1.00  10.0 10.00   4.10  72.69) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.51 +/- 1.87   0.281% *  0.0834% (0.84   1.0  1.00   0.02  53.20) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  18.92 +/- 2.17   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  22.52 +/- 2.72   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.12 +/- 1.45   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.53, residual support = 72.7:
    * O T HA    HIS  122 - HB3   HIS  122   2.58 +/- 0.24  99.964% * 99.8702% (1.00  10.0 10.00   3.53  72.69) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  11.30 +/- 2.72   0.034% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.56 +/- 1.53   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.22 +/- 1.31   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 72.7:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   4.10  72.69) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.80 +/- 1.03   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.65 +/- 1.81   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 = 203.7:
    * O T HB2   LEU  123 - HA    LEU  123   2.92 +/- 0.19  99.486% * 98.5720% (1.00  10.0 10.00   6.00 203.69) =  99.999%  kept
        T QD    LYS+  99 - HA    LEU  123  11.24 +/- 3.37   0.110% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.58 +/- 0.25   0.357% *  0.0304% (0.31   1.0  1.00   0.02   2.52) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.58 +/- 2.47   0.009% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.81 +/- 1.79   0.024% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  17.73 +/- 3.47   0.004% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  16.39 +/- 3.62   0.006% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.20 +/- 1.36   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  19.67 +/- 2.03   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.23 +/- 1.11   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.87 +/- 1.16   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.76 +/- 2.15   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 = 5.61, residual support = 203.7:
    * O T HB3   LEU  123 - HA    LEU  123   2.53 +/- 0.18  99.996% * 99.6484% (1.00  10.0 10.00   5.61 203.69) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.98 +/- 1.32   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  21.10 +/- 3.17   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.24 +/- 1.34   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.56 +/- 1.47   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.08 +/- 2.05   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 = 5.36, residual support = 203.7:
    * O T HG    LEU  123 - HA    LEU  123   3.25 +/- 0.77  91.113% * 98.6685% (0.69  10.0 10.00   5.36 203.69) =  99.991%  kept
          HG3   PRO   68 - HA    LEU  123   9.33 +/- 3.44   5.750% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - HA    LEU  123   6.91 +/- 1.70   2.968% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  123  11.54 +/- 2.41   0.109% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.92 +/- 1.71   0.014% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  14.79 +/- 1.82   0.021% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.25 +/- 2.68   0.005% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.07 +/- 2.58   0.005% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  16.93 +/- 3.00   0.008% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.12 +/- 2.24   0.002% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.42 +/- 2.50   0.002% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  22.98 +/- 1.33   0.002% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.02 +/- 1.28   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  31.19 +/- 1.61   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 0.23 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 203.7:
    *   T QD1   LEU  123 - HA    LEU  123   2.80 +/- 0.82  92.803% * 99.6081% (1.00 10.00   5.98 203.69) =  99.993%  kept
          QG1   VAL   70 - HA    LEU  123   8.24 +/- 3.37   6.753% *  0.0919% (0.92  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - HA    LEU  123  14.27 +/- 2.65   0.208% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  11.46 +/- 2.97   0.082% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  10.11 +/- 1.98   0.144% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.50 +/- 1.71   0.010% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 3 structures by 0.40 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 203.7:
    *   T QD2   LEU  123 - HA    LEU  123   2.95 +/- 0.15  99.810% * 99.9316% (1.00 10.00   4.76 203.69) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.05 +/- 0.45   0.134% *  0.0486% (0.49  1.00   0.02   2.52) =   0.000%
          HB3   LEU  104 - HA    LEU  123  11.46 +/- 2.97   0.056% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 203.7:
    * O T HA    LEU  123 - HB2   LEU  123   2.92 +/- 0.19  99.944% * 98.7431% (1.00  10.0 10.00   6.00 203.69) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  15.91 +/- 3.09   0.007% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.73 +/- 0.81   0.017% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  14.53 +/- 1.38   0.009% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  15.14 +/- 2.97   0.009% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.35 +/- 1.53   0.010% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  22.50 +/- 3.50   0.001% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  19.59 +/- 1.74   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  24.77 +/- 2.00   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.34, residual support = 203.7:
    * O T HG    LEU  123 - HB2   LEU  123   2.49 +/- 0.29  99.190% * 97.8726% (0.69  10.0 10.00   5.34 203.69) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  11.40 +/- 3.14   0.188% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   7.45 +/- 1.68   0.580% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  10.74 +/- 2.23   0.031% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  13.99 +/- 1.72   0.004% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  17.92 +/- 2.56   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.17 +/- 2.33   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.26 +/- 1.76   0.002% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.18 +/- 2.22   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  21.85 +/- 2.32   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  21.93 +/- 2.04   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  21.26 +/- 1.34   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  28.85 +/- 1.55   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  30.84 +/- 1.50   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 = 203.7:
    * O T QD1   LEU  123 - HB2   LEU  123   2.57 +/- 0.41  99.775% * 99.6081% (1.00  10.0 10.00   5.96 203.69) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123   9.76 +/- 2.96   0.078% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.19 +/- 2.03   0.095% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  15.56 +/- 2.74   0.030% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  11.60 +/- 2.64   0.019% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  15.98 +/- 1.57   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 203.7:
    * O T QD2   LEU  123 - HB2   LEU  123   2.94 +/- 0.24  99.708% * 99.4960% (1.00  10.0 10.00   4.75 203.69) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.29 +/- 0.58   0.239% *  0.4843% (0.49   1.0 10.00   0.02   2.52) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  11.60 +/- 2.64   0.053% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.36, residual support = 203.7:
    * O T HA    LEU  123 - HG    LEU  123   3.25 +/- 0.77  99.743% * 99.5102% (0.69  10.0 10.00   5.36 203.69) = 100.000%  kept
          HA    ILE   56 - HG    LEU  123  13.80 +/- 1.71   0.065% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU  123  12.98 +/- 1.45   0.075% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.18 +/- 1.62   0.081% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  16.15 +/- 3.39   0.011% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  15.12 +/- 3.35   0.017% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  18.55 +/- 2.67   0.004% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  22.53 +/- 3.88   0.002% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  23.81 +/- 2.89   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.34, residual support = 203.7:
    * O T HB2   LEU  123 - HG    LEU  123   2.49 +/- 0.29  99.789% * 96.6014% (0.69  10.0 10.00   5.34 203.69) = 100.000%  kept
        T QD    LYS+  65 - HG    LEU  123  12.09 +/- 1.96   0.015% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG    LEU  123   7.40 +/- 0.63   0.162% *  0.0298% (0.21   1.0  1.00   0.02   2.52) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  18.84 +/- 2.99   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  13.01 +/- 3.06   0.025% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  18.14 +/- 1.90   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  18.19 +/- 1.11   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.13 +/- 2.24   0.003% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  18.31 +/- 3.42   0.002% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  19.61 +/- 2.40   0.001% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.08 +/- 1.65   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.86 +/- 2.26   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.17, residual support = 203.7:
    * O T HB3   LEU  123 - HG    LEU  123   2.77 +/- 0.13  99.987% * 97.8109% (0.69  10.0 10.00   5.17 203.69) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.13 +/- 1.31   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.21 +/- 1.51   0.009% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.15 +/- 3.50   0.001% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  21.74 +/- 2.32   0.001% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  18.69 +/- 1.91   0.002% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 203.7:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.108% * 99.6081% (0.69  10.0 10.00   5.61 203.69) =  99.999%  kept
          QG1   VAL   70 - HG    LEU  123   9.32 +/- 3.47   0.651% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123   9.34 +/- 2.70   0.232% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.49 +/- 2.60   0.005% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  15.04 +/- 2.81   0.003% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  15.12 +/- 2.14   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 203.7:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  99.981% * 99.9316% (0.69  10.0 10.00   4.44 203.69) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.42 +/- 0.60   0.014% *  0.0486% (0.33   1.0  1.00   0.02   2.52) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.49 +/- 2.60   0.005% *  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 = 5.98, residual support = 203.7:
    *   T HA    LEU  123 - QD1   LEU  123   2.80 +/- 0.82  99.589% * 99.5102% (1.00 10.00   5.98 203.69) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.29 +/- 1.38   0.068% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  10.80 +/- 0.97   0.113% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.72 +/- 1.72   0.115% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  12.94 +/- 2.49   0.039% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.13 +/- 2.54   0.057% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.34 +/- 2.86   0.005% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.15 +/- 2.15   0.012% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.56 +/- 2.20   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 203.7:
    * O T HB2   LEU  123 - QD1   LEU  123   2.57 +/- 0.41  98.387% * 99.3293% (1.00  10.0 10.00   5.96 203.69) =  99.999%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.60 +/- 0.30   1.428% *  0.0307% (0.31   1.0  1.00   0.02   2.52) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.82 +/- 2.09   0.092% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  10.42 +/- 2.29   0.048% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.12 +/- 1.84   0.024% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  14.85 +/- 1.15   0.004% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  15.26 +/- 2.33   0.004% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.96 +/- 1.28   0.003% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  14.96 +/- 2.58   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.87 +/- 2.01   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.23 +/- 1.30   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.81 +/- 1.81   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 203.7:
    * O T HB3   LEU  123 - QD1   LEU  123   2.95 +/- 0.26  99.929% * 99.6484% (1.00  10.0 10.00   5.78 203.69) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.63 +/- 1.44   0.050% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  14.94 +/- 1.47   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.14 +/- 1.79   0.007% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  18.07 +/- 2.70   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  17.90 +/- 1.94   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 203.7:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  88.972% * 98.8924% (0.69  10.0 10.00   5.61 203.69) =  99.997%  kept
          QB    LYS+  66 - QD1   LEU  123   4.93 +/- 2.24  10.801% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - QD1   LEU  123   8.73 +/- 2.66   0.188% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   9.03 +/- 1.82   0.025% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.42 +/- 1.45   0.005% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.13 +/- 1.84   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.01 +/- 1.58   0.004% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.13 +/- 2.06   0.001% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.30 +/- 2.30   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  14.95 +/- 1.79   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.06 +/- 1.35   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.54 +/- 1.99   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  23.22 +/- 1.21   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  24.81 +/- 1.36   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 = 203.7:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.06  99.927% * 99.7540% (1.00  10.0 10.00   4.91 203.69) = 100.000%  kept
        T HB3   LEU  104 - QD1   LEU  123   9.85 +/- 2.10   0.015% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU  123   7.28 +/- 0.41   0.058% *  0.0486% (0.49   1.0  1.00   0.02   2.52) =   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 = 203.7:
    *   T HA    LEU  123 - QD2   LEU  123   2.95 +/- 0.15  99.844% * 99.5102% (1.00 10.00   4.76 203.69) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.20 +/- 1.39   0.029% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.13 +/- 1.46   0.056% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.76 +/- 0.87   0.030% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  14.59 +/- 2.78   0.012% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  13.62 +/- 2.81   0.018% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  15.53 +/- 2.50   0.008% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  19.73 +/- 3.31   0.002% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  19.67 +/- 2.75   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 203.7:
    * O T HB2   LEU  123 - QD2   LEU  123   2.94 +/- 0.24  99.437% * 99.0560% (1.00  10.0 10.00   4.75 203.69) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.77 +/- 0.28   0.320% *  0.3057% (0.31   1.0 10.00   0.02   2.52) =   0.001%
          QD    LYS+  65 - QD2   LEU  123   9.68 +/- 1.78   0.147% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  11.75 +/- 2.54   0.054% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.06 +/- 1.80   0.014% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  15.89 +/- 3.00   0.009% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.25 +/- 1.39   0.005% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  16.91 +/- 2.52   0.005% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.44 +/- 0.82   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.32 +/- 2.19   0.004% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  18.83 +/- 1.41   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  24.41 +/- 1.68   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 203.7:
    * O T HB3   LEU  123 - QD2   LEU  123   2.19 +/- 0.30  99.992% * 99.6484% (1.00  10.0 10.00   4.48 203.69) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.17 +/- 1.39   0.005% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.37 +/- 1.07   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.32 +/- 1.70   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.06 +/- 2.81   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.58 +/- 2.14   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 203.7:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  92.915% * 98.6685% (0.69  10.0 10.00   4.44 203.69) =  99.996%  kept
          HG3   PRO   68 - QD2   LEU  123   8.63 +/- 3.07   2.072% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QD2   LEU  123   5.15 +/- 2.00   5.000% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  11.19 +/- 1.77   0.006% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.17 +/- 1.76   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.34 +/- 1.34   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  17.81 +/- 2.34   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.20 +/- 1.84   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  15.92 +/- 2.49   0.001% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  18.25 +/- 1.39   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.60 +/- 2.22   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.00 +/- 1.81   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.66 +/- 1.48   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  26.12 +/- 1.38   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 203.7:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.06  97.264% * 99.6081% (1.00  10.0 10.00   4.91 203.69) =  99.998%  kept
          QG1   VAL   70 - QD2   LEU  123   8.25 +/- 3.05   2.396% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU  123   8.54 +/- 2.52   0.328% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  13.12 +/- 2.42   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  11.84 +/- 2.16   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  13.11 +/- 1.99   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.24:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  99.173% * 97.4620% (1.00  10.0 10.00   1.00   9.24) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.78 +/- 0.22   0.043% *  0.0730% (0.07   1.0 10.00   0.02   4.96) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.23 +/- 1.02   0.720% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.21 +/- 1.64   0.017% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.66 +/- 1.36   0.034% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.76 +/- 1.31   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  15.53 +/- 3.42   0.001% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.14 +/- 1.93   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  26.32 +/- 2.66   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.40 +/- 2.28   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  17.27 +/- 2.09   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  28.63 +/- 1.10   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.96 +/- 0.71   0.006% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.09 +/- 1.58   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  21.74 +/- 1.57   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  21.68 +/- 1.13   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  21.15 +/- 1.19   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  19.81 +/- 3.55   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.06 +/- 1.36   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.47 +/- 0.82   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.66 +/- 0.95   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.51 +/- 1.46   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  21.24 +/- 3.58   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.24 +/- 1.36   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.09 +/- 1.58   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  22.51 +/- 3.62   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.50 +/- 1.37   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  33.86 +/- 3.20   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.44 +/- 1.98   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.98 +/- 0.98   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.24:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  99.995% * 98.8388% (1.00  10.0 10.00   1.00   9.24) = 100.000%  kept
          HA    LEU  115 - QB    ALA  124  11.64 +/- 1.02   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA  124  19.14 +/- 1.93   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  23.55 +/- 1.80   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.15 +/- 1.34   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  22.25 +/- 2.69   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.33 +/- 2.29   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  30.03 +/- 1.41   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 203.7:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.999% * 97.4949% (1.00  10.0 10.00   5.57 203.69) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  17.91 +/- 1.32   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  19.68 +/- 1.31   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.66 +/- 2.81   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.11 +/- 1.28   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.72 +/- 2.14   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 = 5.57, residual support = 203.7:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.980% * 96.4170% (0.99  10.0 10.00   5.57 203.69) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.73 +/- 0.61   0.017% *  0.0365% (0.38   1.0  1.00   0.02   2.52) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.01 +/- 1.80   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  18.89 +/- 3.23   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  18.20 +/- 3.40   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.14 +/- 1.14   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  12.92 +/- 3.10   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  15.83 +/- 2.33   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.65 +/- 1.51   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  20.85 +/- 2.01   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.29 +/- 1.93   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.51 +/- 1.35   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 = 5.78, residual support = 203.7:
    * O T QD1   LEU  123 - HB3   LEU  123   2.95 +/- 0.26  99.290% * 99.6081% (1.00  10.0 10.00   5.78 203.69) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU  123   9.84 +/- 3.26   0.436% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  15.72 +/- 2.78   0.094% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  10.63 +/- 2.18   0.149% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.56 +/- 2.70   0.026% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.25 +/- 1.87   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 203.7:
    * O T QD2   LEU  123 - HB3   LEU  123   2.19 +/- 0.30  99.960% * 99.9316% (1.00  10.0 10.00   4.48 203.69) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.50 +/- 0.52   0.034% *  0.0486% (0.49   1.0  1.00   0.02   2.52) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.56 +/- 2.70   0.006% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.17, residual support = 203.7:
    * O T HG    LEU  123 - HB3   LEU  123   2.77 +/- 0.13  98.135% * 95.7694% (0.69  10.0 10.00   5.17 203.69) =  99.989%  kept
        T HG3   PRO   68 - HB3   LEU  123  10.89 +/- 3.52   0.785% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.011%
          QB    LYS+  66 - HB3   LEU  123   7.21 +/- 1.80   1.042% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  11.95 +/- 2.22   0.024% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  22.37 +/- 2.55   0.001% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.15 +/- 2.35   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.07 +/- 1.66   0.005% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.22 +/- 2.34   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.10 +/- 1.79   0.003% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  18.52 +/- 2.75   0.002% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.17 +/- 2.28   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.14 +/- 1.64   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  29.76 +/- 1.51   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  31.53 +/- 1.50   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 203.7:
    * O T HA    LEU  123 - HB3   LEU  123   2.53 +/- 0.18  99.981% * 99.5102% (1.00  10.0 10.00   5.61 203.69) = 100.000%  kept
          HA    ILE   56 - HB3   LEU  123  15.22 +/- 1.59   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   LEU  123  13.74 +/- 0.97   0.005% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  16.48 +/- 3.33   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  15.58 +/- 3.20   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.61 +/- 1.79   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  22.87 +/- 3.71   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  19.38 +/- 2.20   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  24.33 +/- 2.51   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 316.4:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  98.806% * 99.2544% (1.00  10.0   5.61 316.40) =  99.997%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.85 +/- 0.33   1.058% *  0.3063% (0.31  10.0   0.02 316.40) =   0.003%
          QD    LYS+  66 - HD3   LYS+ 121  11.98 +/- 3.92   0.091% *  0.0795% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 121   8.37 +/- 2.68   0.037% *  0.0306% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  11.17 +/- 2.74   0.006% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.30 +/- 3.27   0.001% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.96 +/- 2.91   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.98 +/- 2.02   0.000% *  0.0759% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.86 +/- 1.86   0.000% *  0.0958% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.52 +/- 1.63   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 = 316.4:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.74 +/- 0.29  99.694% * 99.7211% (1.00  10.0   6.28 316.40) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.97 +/- 0.89   0.137% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   8.97 +/- 0.96   0.108% *  0.0308% (0.31   1.0   0.02   2.95) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.37 +/- 2.61   0.059% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.22 +/- 1.88   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  19.32 +/- 2.75   0.002% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 316.4:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.49 +/- 0.30  99.894% * 98.9917% (1.00  10.0 10.00   5.98 316.40) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.04 +/- 1.55   0.012% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.10 +/- 0.77   0.087% *  0.0482% (0.49   1.0  1.00   0.02   2.52) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  14.13 +/- 2.24   0.005% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  18.78 +/- 2.70   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 316.4:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.16 +/- 0.26  99.376% * 99.2313% (1.00  10.0  1.00   7.06 316.40) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.17 +/- 0.60   0.469% *  0.0306% (0.31   1.0  1.00   0.02   2.52) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  16.68 +/- 3.19   0.045% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  15.14 +/- 3.02   0.016% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  12.91 +/- 2.84   0.065% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  15.97 +/- 2.94   0.013% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  17.00 +/- 2.35   0.007% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.19 +/- 1.14   0.006% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  18.98 +/- 1.83   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  25.02 +/- 3.08   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 316.4:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.38 +/- 0.11  99.017% * 99.7880% (1.00  10.0   5.85 316.40) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.61 +/- 1.71   0.982% *  0.0833% (0.84   1.0   0.02  53.20) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  22.08 +/- 2.40   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  23.83 +/- 2.38   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.41 +/- 1.39   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 316.3:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.17 +/- 0.70  70.030% * 99.1042% (1.00 10.00   6.63 316.40) =  99.963%  kept
          QB    SER  117 - HD3   LYS+ 121   6.31 +/- 2.36  26.540% *  0.0828% (0.84  1.00   0.02   0.02) =   0.032%
          HA    ALA  120 - HD3   LYS+ 121   7.42 +/- 0.80   2.609% *  0.0757% (0.76  1.00   0.02   1.62) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  16.59 +/- 3.35   0.552% *  0.3381% (0.34 10.00   0.02   0.02) =   0.003%
          HA    PHE   60 - HD3   LYS+ 121  13.14 +/- 1.47   0.172% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.79 +/- 1.51   0.038% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  19.05 +/- 3.18   0.053% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.39 +/- 1.38   0.003% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.89 +/- 1.31   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  27.40 +/- 2.48   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.7, residual support = 316.4:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.68 +/- 0.17  99.778% * 99.7211% (0.84  10.0 10.00   7.70 316.40) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.90 +/- 0.52   0.081% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.47 +/- 0.52   0.113% *  0.0308% (0.26   1.0  1.00   0.02   2.95) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  11.67 +/- 2.45   0.025% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.14 +/- 1.20   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  19.51 +/- 2.80   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 = 7.03, residual support = 316.4:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.36 +/- 0.10  99.927% * 99.5295% (0.84  10.0 10.00   7.03 316.40) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.23 +/- 0.41   0.061% *  0.0484% (0.41   1.0  1.00   0.02   2.52) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.10 +/- 1.61   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.91 +/- 1.20   0.008% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  18.97 +/- 2.68   0.001% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.78, residual support = 316.4:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.966% * 97.1314% (0.84  10.0 10.00   8.78 316.40) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   6.90 +/- 0.69   0.031% *  0.0300% (0.26   1.0  1.00   0.02   2.52) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  13.29 +/- 2.95   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.29 +/- 2.21   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  16.00 +/- 2.47   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.40 +/- 1.62   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.92 +/- 2.30   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  16.00 +/- 1.02   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.84 +/- 1.84   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  25.26 +/- 3.19   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 = 6.7, residual support = 275.4:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.20 +/- 0.28  77.020% * 60.9569% (0.84  1.00   6.98 316.40) =  84.413%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.69 +/- 1.25  22.972% * 37.7381% (0.70  1.00   5.17  53.20) =  15.587%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.10 +/- 1.60   0.004% *  1.1997% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  24.09 +/- 2.54   0.003% *  0.0783% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.45 +/- 1.53   0.001% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.23, residual support = 316.4:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.57 +/- 0.24  98.646% * 99.1042% (0.84  10.0 10.00   8.23 316.40) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   6.29 +/- 0.89   0.720% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.19 +/- 0.27   0.616% *  0.0757% (0.64   1.0  1.00   0.02   1.62) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  16.21 +/- 2.09   0.003% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.78 +/- 1.25   0.011% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.84 +/- 1.61   0.003% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.67 +/- 1.70   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.47 +/- 1.11   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.83 +/- 1.39   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  27.67 +/- 2.51   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.805, support = 8.69, residual support = 316.4:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.990% * 55.3563% (0.84  10.0 10.00   8.78 316.40) =  83.784%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.25 +/- 0.21  19.989% * 42.8727% (0.65  10.0 10.00   8.20 316.40) =  16.216%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.83 +/- 3.20   0.007% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   8.97 +/- 2.25   0.013% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.06 +/- 2.13   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.19 +/- 1.64   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.56 +/- 1.19   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.17 +/- 1.14   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.64 +/- 0.83   0.000% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.778, support = 8.03, residual support = 311.8:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.57 +/- 0.24  46.074% * 52.0655% (0.84  10.0 10.00   8.23 316.40) =  79.131%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.59 +/- 0.70  13.449% * 40.3240% (0.65   1.0 10.00   7.65 316.40) =  17.890%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.70 +/- 0.53  39.903% *  2.2150% (0.04  10.0 10.00   5.27 164.04) =   2.916%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.84 +/- 0.78   0.505% *  3.7757% (0.06   1.0 10.00   5.45  25.52) =   0.063%
        T QD    LYS+  66 - HA    LYS+ 121  11.22 +/- 2.93   0.016% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121   9.91 +/- 2.70   0.035% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.41 +/- 2.01   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.41 +/- 1.12   0.005% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.75 +/- 2.90   0.004% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.36 +/- 1.30   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.97 +/- 1.15   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.21 +/- 2.09   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.53 +/- 0.71   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.35 +/- 1.00   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.48 +/- 1.00   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  16.18 +/- 1.00   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.00 +/- 1.15   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.39 +/- 1.48   0.000% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.954, support = 6.57, residual support = 309.4:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.17 +/- 0.70  19.562% * 97.6597% (1.00   1.0 10.00   6.63 316.40) =  95.382%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.98 +/- 0.62  76.248% *  1.2130% (0.01  10.0 10.00   5.27 164.04) =   4.618%  kept
          QB    ALA   61 - HA    LYS+  65   5.75 +/- 0.53   2.908% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.31 +/- 2.31   0.019% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.65 +/- 0.80   1.064% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.51 +/- 2.04   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.59 +/- 3.35   0.009% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.81 +/- 1.66   0.022% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.03 +/- 1.43   0.007% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.10 +/- 1.76   0.019% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  15.02 +/- 0.99   0.006% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.53 +/- 1.47   0.021% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  12.23 +/- 1.26   0.034% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.64 +/- 2.51   0.001% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.33 +/- 0.83   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.20 +/- 0.97   0.047% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.34 +/- 1.69   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.23 +/- 1.44   0.007% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  19.44 +/- 2.32   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.36 +/- 1.14   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.55 +/- 1.47   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.15 +/- 1.25   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  28.69 +/- 3.60   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.09 +/- 1.81   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.50 +/- 0.61   0.008% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  29.84 +/- 4.21   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  23.67 +/- 1.46   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  24.54 +/- 1.87   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 228.2:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.788% * 98.6779% (1.00  10.0 10.00   6.14 228.22) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.35 +/- 0.56   0.161% *  0.0305% (0.31   1.0  1.00   0.02  15.18) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   7.51 +/- 1.25   0.028% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.32 +/- 1.28   0.007% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.97 +/- 1.28   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.61 +/- 2.35   0.011% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.60 +/- 0.75   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.18 +/- 1.10   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.58 +/- 1.24   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.79 +/- 2.69   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.22 +/- 1.45   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.94 +/- 1.92   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.17 +/- 1.02   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.44 +/- 1.90   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.79 +/- 1.16   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.94 +/- 1.17   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 231.7:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.994% * 98.3538% (1.00  10.0 10.00   6.20 231.71) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.35 +/- 2.47   0.005% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.43 +/- 1.31   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.67 +/- 1.02   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.79 +/- 2.14   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  14.80 +/- 1.47   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.62 +/- 2.38   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.07 +/- 1.76   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  20.12 +/- 1.86   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.36 +/- 0.96   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  22.12 +/- 1.58   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.74 +/- 1.88   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  31.34 +/- 1.35   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  30.18 +/- 1.74   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 = 0.936, support = 4.43, residual support = 231.7:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  94.078% * 56.6026% (0.95  10.0   4.37 231.71) =  95.426%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.06 +/- 0.52   5.901% * 43.2573% (0.72  10.0   5.67 231.71) =   4.574%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.56 +/- 1.62   0.020% *  0.0212% (0.36   1.0   0.02  28.51) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.97 +/- 0.93   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  24.97 +/- 3.17   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  21.48 +/- 2.77   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 6.81, residual support = 313.6:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  83.543% * 97.3629% (1.00  10.0   6.84 314.94) =  99.584%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.98 +/- 1.26  16.455% *  2.0671% (0.57   1.0   0.75   0.17) =   0.416%
          HB    ILE  119 - HB3   LYS+ 111  10.37 +/- 1.18   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.29 +/- 2.93   0.000% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.54 +/- 3.25   0.000% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  24.02 +/- 1.68   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.14 +/- 1.57   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.09 +/- 1.79   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  28.28 +/- 2.13   0.000% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.24 +/- 2.04   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.59 +/- 2.56   0.000% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.69 +/- 1.77   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 58.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.28 +/- 0.28  99.933% * 99.7711% (1.00  10.0 10.00   4.31  58.23) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.20 +/- 0.98   0.010% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.16 +/- 0.93   0.031% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.21 +/- 1.23   0.022% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.000%
          QG1   VAL   24 - HA    VAL  107  15.69 +/- 1.79   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  16.39 +/- 1.31   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.36 +/- 1.22   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 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   2.66 +/- 0.23  99.815% * 99.7501% (1.00  10.0 10.00   3.63  58.23) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.80 +/- 1.75   0.059% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.34 +/- 0.70   0.036% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.16 +/- 0.93   0.088% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.18 +/- 1.19   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.36 +/- 1.22   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 42.3:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.88 +/- 0.18  92.108% * 83.8795% (1.00  10.0 10.00   3.21  42.57) =  98.702%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.56 +/- 0.23   6.554% * 15.4863% (0.87   1.0  1.00   4.26  21.80) =   1.297%  kept
          HB    ILE  103 - HA    ASP- 105   6.33 +/- 0.31   0.886% *  0.0831% (0.99   1.0  1.00   0.02   3.89) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.25 +/- 0.41   0.421% *  0.0129% (0.15   1.0  1.00   0.02   3.89) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  17.95 +/- 3.44   0.006% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  13.95 +/- 2.09   0.012% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.10 +/- 1.02   0.005% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.82 +/- 0.80   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.14 +/- 1.12   0.003% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  18.78 +/- 1.28   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.01 +/- 1.19   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  23.06 +/- 0.79   0.000% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.34 +/- 1.23   0.002% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  25.01 +/- 2.09   0.000% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.38, residual support = 42.6:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.983% * 99.5527% (0.95  10.0 10.00   3.38  42.57) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.97 +/- 0.78   0.007% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   8.65 +/- 1.26   0.009% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.77 +/- 0.95   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  12.55 +/- 1.47   0.001% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.67 +/- 1.38   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  22.46 +/- 0.85   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.94 +/- 1.30   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.11 +/- 1.10   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.87, residual support = 140.4:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.998% * 66.9933% (1.00  10.0  1.00   4.69 135.77) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.998% * 32.5339% (0.49  10.0  1.00   5.25 149.94) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.49 +/- 2.63   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  12.25 +/- 1.58   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.50 +/- 1.42   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.54 +/- 2.01   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  22.80 +/- 2.00   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.25 +/- 1.47   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.59 +/- 1.58   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.04 +/- 1.87   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  20.86 +/- 2.87   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.36 +/- 1.46   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.74 +/- 2.88   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.36 +/- 1.18   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.17 +/- 2.60   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  24.10 +/- 1.64   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.56 +/- 1.42   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  28.18 +/- 2.88   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.58 +/- 2.21   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.94 +/- 0.97   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 135.7:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.940% * 99.2815% (0.80  10.0 10.00   4.26 135.69) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.47 +/- 0.38   0.042% *  0.0900% (0.73   1.0  1.00   0.02  22.16) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.29 +/- 1.57   0.017% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.97 +/- 1.25   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.36 +/- 1.88   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.57 +/- 1.01   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  17.66 +/- 2.21   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.71 +/- 1.04   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.21 +/- 1.32   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 = 5.68, residual support = 187.3:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.981% * 99.4757% (0.80  10.0   5.68 187.29) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.56 +/- 0.39   0.017% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.75 +/- 1.99   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.43 +/- 1.24   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  14.66 +/- 2.00   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  18.30 +/- 1.79   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.17 +/- 1.30   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.35 +/- 0.93   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.83 +/- 1.07   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.36 +/- 1.71   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 = 5.12, residual support = 214.4:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.999% * 99.3078% (1.00  10.0 10.00   5.12 214.37) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  13.53 +/- 1.17   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  17.22 +/- 2.60   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  25.02 +/- 1.97   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  21.36 +/- 2.87   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  21.52 +/- 1.83   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  22.51 +/- 1.81   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  21.51 +/- 1.85   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  99.944% * 99.6237% (1.00  10.0 10.00   2.81  24.32) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.05 +/- 0.48   0.037% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.67 +/- 0.88   0.013% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  14.86 +/- 1.55   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.63 +/- 1.44   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.57 +/- 0.80   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.48 +/- 0.95   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.77 +/- 0.92   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.91 +/- 1.50   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  27.17 +/- 1.50   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 = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.21) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51   9.90 +/- 0.49   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  19.40 +/- 2.09   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.63 +/- 1.20   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.55 +/- 1.93   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.67 +/- 0.83   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.83 +/- 1.03   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.23 +/- 1.18   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.32 +/- 1.17   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  39.87 +/- 2.26   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 65.6:
    * O   QG2   VAL   24 - QG1   VAL   24   2.06 +/- 0.04  99.998% * 99.5951% (1.00  10.0  1.00   2.88  65.60) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  13.67 +/- 1.47   0.002% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  16.78 +/- 1.49   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  21.53 +/- 1.93   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 = 6.21, residual support = 155.0:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.983% * 99.4743% (1.00  10.0 10.00   6.21 155.00) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.10 +/- 0.83   0.013% *  0.0918% (0.92   1.0  1.00   0.02   9.20) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  12.18 +/- 2.79   0.002% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.90 +/- 1.74   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  20.33 +/- 2.90   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.59 +/- 2.10   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.46 +/- 2.37   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.60 +/- 1.92   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.08 +/- 1.85   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  15.69 +/- 1.51   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.56 +/- 1.24   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  27.55 +/- 1.69   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 = 4.55, residual support = 149.9:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.49 +/- 0.39  98.263% * 99.0807% (1.00  10.0   4.55 149.94) =  99.999%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.77 +/- 0.82   1.274% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.63 +/- 0.85   0.164% *  0.0338% (0.34   1.0   0.02   1.35) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.39 +/- 0.99   0.034% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.22 +/- 0.64   0.060% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   8.12 +/- 1.13   0.184% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  13.35 +/- 2.43   0.013% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  16.73 +/- 3.32   0.002% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  19.83 +/- 2.80   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  18.34 +/- 3.52   0.001% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.60 +/- 1.47   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.11 +/- 1.41   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.73 +/- 1.80   0.000% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.48 +/- 1.69   0.000% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  23.75 +/- 2.50   0.000% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.20 +/- 2.38   0.000% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.17 +/- 1.67   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.96 +/- 1.31   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  24.56 +/- 1.61   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.91 +/- 1.69   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  20.67 +/- 1.63   0.000% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.31 +/- 2.17   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.75 +/- 2.93   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  29.26 +/- 1.34   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 149.9:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.31 +/- 0.11  99.996% * 98.2551% (1.00  10.0 10.00   5.68 149.94) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  19.04 +/- 1.22   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  21.04 +/- 2.25   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  14.38 +/- 0.79   0.002% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.16 +/- 0.77   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.00 +/- 1.76   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.51 +/- 1.79   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 4.83, residual support = 219.1:
    *     QE    LYS+  38 - HA    LYS+  38   4.49 +/- 0.56  63.588% * 93.8743% (1.00  1.00   4.84 220.62) =  99.161%  kept
          QE    LYS+  99 - HA    GLU- 100   6.27 +/- 0.51  10.387% *  4.3770% (0.05  1.00   4.16  39.58) =   0.755%  kept
          QE    LYS+  99 - HA    LYS+  38   6.78 +/- 1.49  13.261% *  0.3480% (0.90  1.00   0.02   0.02) =   0.077%
          QE    LYS+  38 - HA    GLU- 100   7.05 +/- 2.16  10.528% *  0.0234% (0.06  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  11.87 +/- 2.24   0.320% *  0.3582% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    LYS+  38  15.31 +/- 0.89   0.043% *  0.8638% (0.22 10.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HA    GLU- 100   8.61 +/- 0.43   1.455% *  0.0216% (0.06  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  13.66 +/- 1.43   0.111% *  0.0768% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  14.87 +/- 1.37   0.063% *  0.0522% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.47 +/- 0.45   0.244% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.05 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 = 0.936, support = 4.52, residual support = 160.0:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.48 +/- 0.46  65.895% * 54.8141% (1.00  10.0 10.00   4.29 164.04) =  71.507%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.86 +/- 0.49  33.904% * 42.4513% (0.77  10.0 10.00   5.11 149.94) =  28.493%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.14 +/- 0.56   0.158% *  0.0287% (0.52   1.0  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.35 +/- 1.90   0.032% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  19.45 +/- 3.06   0.001% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.18 +/- 1.22   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.05 +/- 1.30   0.006% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  20.11 +/- 2.29   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.74 +/- 1.00   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.05 +/- 1.70   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.73 +/- 1.37   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.32 +/- 1.82   0.001% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  18.84 +/- 3.40   0.001% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.23 +/- 1.31   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  24.23 +/- 3.89   0.000% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.24 +/- 1.64   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  23.82 +/- 2.99   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.58 +/- 1.24   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  21.88 +/- 2.20   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.67 +/- 1.37   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  27.41 +/- 1.08   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.86 +/- 1.70   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.26 +/- 1.34   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  30.18 +/- 1.66   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 92.2:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.31 +/- 0.09  99.994% * 99.1144% (1.00  10.0 10.00   4.47  92.22) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  22.33 +/- 1.85   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  16.52 +/- 2.70   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.45 +/- 0.93   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.52 +/- 1.23   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  16.90 +/- 2.26   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.62 +/- 1.79   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.35 +/- 0.97   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  25.75 +/- 2.06   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.59 +/- 1.24   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.07 +/- 1.80   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 92.2:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.22  92.22) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  18.59 +/- 2.55   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.97 +/- 0.84   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.21 +/- 1.33   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.86 +/- 1.50   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.11 +/- 0.97   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  29.88 +/- 1.97   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   2.39 +/- 0.12  99.982% * 98.5118% (0.76  10.0 10.00   4.31  84.56) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.57 +/- 0.69   0.016% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.90 +/- 0.84   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  16.58 +/- 1.17   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.45 +/- 0.78   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.61 +/- 1.47   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.44 +/- 1.52   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HA    GLN   17 - HB3   GLN   17   2.79 +/- 0.32  93.667% * 99.5390% (1.00  10.0 10.00   4.00  84.56) =  99.996%  kept
          HA    GLU-  15 - HB3   GLN   17   4.86 +/- 0.60   6.258% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - HB3   GLN   17  10.35 +/- 1.04   0.053% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.52 +/- 0.84   0.006% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.10 +/- 1.87   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  14.74 +/- 1.34   0.005% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.01 +/- 1.35   0.003% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.50 +/- 1.22   0.005% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.912% * 97.4347% (1.00  10.0 10.00   4.00  84.56) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.20 +/- 0.34   0.055% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB3   GLN   17  11.10 +/- 3.06   0.007% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.40 +/- 0.90   0.024% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.08 +/- 1.17   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.25 +/- 1.98   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.30 +/- 1.30   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.21 +/- 0.81   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.33 +/- 1.24   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.50 +/- 1.84   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  19.47 +/- 1.47   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.42 +/- 1.56   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 = 0.914, support = 3.1, residual support = 46.9:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.58 +/- 0.13  70.026% * 72.0932% (1.00  10.0 10.00   2.96  47.26) =  86.300%  kept
      O T HG3   MET   11 - HA    MET   11   3.18 +/- 0.63  29.946% * 26.7625% (0.37  10.0 10.00   4.00  44.64) =  13.700%  kept
        T HG3   MET   11 - HA    GLU-  14  11.01 +/- 0.89   0.015% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  11.21 +/- 0.73   0.012% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.26 +/- 1.50   0.001% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.84 +/- 0.96   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  22.50 +/- 1.40   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.65 +/- 2.05   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  30.77 +/- 1.67   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.49 +/- 1.37   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.91 +/- 1.70   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.53 +/- 1.82   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 64.0:
    * O T HB2   MET   92 - HA    MET   92   2.95 +/- 0.18  99.127% * 99.5277% (1.00  10.0 10.00   3.87  64.04) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   8.69 +/- 1.21   0.330% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   7.31 +/- 0.53   0.500% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.74 +/- 0.73   0.028% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  15.18 +/- 1.41   0.006% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  14.69 +/- 0.96   0.008% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.28 +/- 0.86   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.74 +/- 1.52   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.75 +/- 0.87   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.89 +/- 1.51   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  38.56 +/- 2.05   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.21, residual support = 63.5:
    * O T HB3   MET   92 - HA    MET   92   2.65 +/- 0.18  95.014% * 83.8270% (1.00  10.0 10.00   4.20  64.04) =  99.081%  kept
          HG3   PRO   93 - HA    MET   92   4.44 +/- 0.16   4.746% * 15.5550% (0.76   1.0  1.00   4.86   1.54) =   0.918%  kept
          HD2   LYS+ 111 - HA    MET   92  12.10 +/- 2.59   0.043% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   7.97 +/- 0.98   0.185% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.16 +/- 1.17   0.008% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  16.32 +/- 0.94   0.002% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  22.11 +/- 1.43   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  26.47 +/- 1.60   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.45 +/- 0.95   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.58 +/- 0.96   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   2.95 +/- 0.38  86.294% * 99.5593% (1.00  10.0 10.00   2.49  64.04) =  99.990%  kept
          HG2   PRO   52 - HA    MET   92   4.97 +/- 2.06  13.602% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          QG    GLU- 114 - HA    MET   92  11.31 +/- 2.16   0.094% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.11 +/- 1.07   0.009% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.01 +/- 1.03   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.74 +/- 1.28   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  34.28 +/- 1.65   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.0:
    * O T HG3   MET   92 - HA    MET   92   3.03 +/- 0.70  99.249% * 99.3565% (1.00  10.0 10.00   3.97  64.04) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   7.87 +/- 0.44   0.587% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.39 +/- 0.97   0.084% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.62 +/- 1.08   0.046% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  14.88 +/- 1.30   0.016% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.44 +/- 0.86   0.008% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.32 +/- 1.43   0.007% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.46 +/- 1.03   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.93 +/- 0.95   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.36 +/- 1.42   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.06 +/- 1.82   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.32, residual support = 5.46:
          HB    VAL  108 - QB    LYS+ 106   4.11 +/- 0.10  97.570% * 79.8785% (0.92  1.00   1.32   5.47) =  99.974%  kept
          HB2   PRO   93 - QB    LYS+ 106   9.48 +/- 1.14   0.881% *  0.7421% (0.57  1.00   0.02   0.02) =   0.008%
        T HB2   GLN   30 - QB    LYS+ 106  15.33 +/- 1.19   0.043% * 13.1070% (1.00 10.00   0.02   0.02) =   0.007%
          HB    ILE  119 - QB    LYS+ 106  11.34 +/- 1.16   0.274% *  1.3107% (1.00  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QB    LYS+ 106   9.71 +/- 1.92   1.097% *  0.2918% (0.22  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QB    LYS+ 106  14.89 +/- 0.59   0.046% *  1.2991% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  16.93 +/- 1.29   0.023% *  1.1369% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.75 +/- 1.14   0.016% *  1.1369% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  18.26 +/- 1.85   0.020% *  0.6380% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  18.08 +/- 1.30   0.017% *  0.2295% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  19.05 +/- 1.43   0.013% *  0.2295% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 3 structures by 0.78 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   2.19 +/- 0.01  99.907% * 99.8873% (0.76  10.0   4.64  27.64) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   7.50 +/- 0.97   0.092% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.75 +/- 1.25   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 84.6:
      O   HN    VAL   75 - HA    VAL   75   2.94 +/- 0.00  99.550% * 99.8946% (0.90  10.0   5.27  84.61) = 100.000%  kept
          HN    ASP-  78 - HA    VAL   75   7.27 +/- 0.33   0.450% *  0.1054% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 18.1:
          HA    PHE   45 - HB    VAL   75   3.54 +/- 1.12  99.617% * 89.9031% (0.45   0.75  18.06) =  99.978%  kept
          HA    VAL   41 - HB    VAL   75  11.23 +/- 0.68   0.372% *  5.1606% (0.97   0.02   0.02) =   0.021%
          HA    HIS  122 - HB    VAL   75  19.55 +/- 1.72   0.011% *  4.9363% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 5 structures by 0.42 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 18.1:
          QD    PHE   45 - HB    VAL   75   3.62 +/- 0.96  99.963% * 98.5750% (0.87   2.13  18.06) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  16.44 +/- 1.66   0.033% *  0.7339% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  21.90 +/- 2.25   0.004% *  0.6911% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 3 structures by 0.34 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.583, support = 0.02, residual support = 1.61:
        T HZ    PHE   72 - HB    VAL   75  14.13 +/- 1.21   4.182% * 97.5882% (0.80 10.00   0.02   0.02) =  63.849%  kept
          HZ2   TRP   27 - HB    VAL   75   7.68 +/- 1.48  95.818% *  2.4118% (0.20  1.00   0.02   4.42) =  36.151%  kept
    Distance limit 4.02 A violated in 20 structures by 3.58 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   2.69 +/- 0.47  99.807% * 99.9348% (0.99  10.0   4.52  84.61) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.23 +/- 0.28   0.193% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 18.1:
        T QE    PHE   45 - QG1   VAL   75   2.96 +/- 0.36  99.895% * 99.5846% (0.34 10.00   2.43  18.06) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.75 +/- 0.54   0.092% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.45 +/- 0.84   0.013% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.1:
          QD    PHE   45 - QG1   VAL   75   2.79 +/- 0.54  99.990% * 99.5813% (1.00   3.10  18.06) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.01 +/- 1.33   0.008% *  0.2198% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.23 +/- 1.50   0.002% *  0.1989% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 5.18, residual support = 82.4:
          HN    VAL   75 - QG1   VAL   75   3.46 +/- 0.25  93.422% * 72.1589% (0.90   5.27  84.61) =  97.355%  kept
          HN    ASP-  78 - QG1   VAL   75   5.47 +/- 0.23   6.578% * 27.8411% (0.95   1.93   0.02) =   2.645%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.6:
          HN    ASP-  76 - QG1   VAL   75   3.16 +/- 0.22  99.588% * 99.1034% (0.41   4.97  27.64) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   8.53 +/- 1.00   0.370% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.19 +/- 1.18   0.041% *  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 = 0.764, support = 0.75, residual support = 2.43:
          HB2   CYS   21 - QG2   VAL   75   4.66 +/- 1.00  98.953% * 98.7151% (0.76   0.75   2.43) =  99.993%  kept
          QE    LYS+  81 - QG2   VAL   75  11.03 +/- 1.50   0.867% *  0.6032% (0.18   0.02   0.02) =   0.005%
          QE    LYS+ 111 - QG2   VAL   75  15.48 +/- 1.29   0.180% *  0.6817% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 13 structures by 1.17 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.53, support = 0.926, residual support = 7.94:
          HZ3   TRP   27 - QG2   VAL   75   3.09 +/- 1.03  78.865% * 43.5700% (0.45   0.99   4.42) =  74.234%  kept
          HZ    PHE   45 - QG2   VAL   75   4.31 +/- 0.61  21.135% * 56.4300% (0.76   0.75  18.06) =  25.766%  kept
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.82, residual support = 18.1:
          QE    PHE   45 - QG2   VAL   75   3.37 +/- 0.49  99.310% * 98.6005% (0.97   1.82  18.06) =  99.993%  kept
          QD    PHE   72 - QG2   VAL   75   8.27 +/- 0.63   0.622% *  1.1197% (1.00   0.02   0.02) =   0.007%
          HZ    PHE   72 - QG2   VAL   75  11.93 +/- 0.79   0.067% *  0.2798% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.798, support = 1.39, residual support = 4.41:
          HE3   TRP   27 - QG2   VAL   75   2.78 +/- 0.93  85.487% * 93.3699% (0.80   1.40   4.42) =  99.711%  kept
          HN    THR   23 - QG2   VAL   75   4.71 +/- 1.25  13.812% *  1.6133% (0.97   0.02   0.02) =   0.278%
          QE    PHE   95 - QG2   VAL   75   8.45 +/- 1.18   0.483% *  1.6386% (0.98   0.02   0.02) =   0.010%
          HD2   HIS   22 - QG2   VAL   75   8.70 +/- 1.19   0.176% *  0.3308% (0.20   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   VAL   75  15.04 +/- 1.03   0.011% *  1.4501% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   VAL   75  14.55 +/- 0.77   0.011% *  1.0814% (0.65   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   VAL   75  13.28 +/- 1.07   0.021% *  0.5160% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 2 structures by 0.17 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   3.06 +/- 0.54  99.299% * 99.5934% (0.90   5.17  84.61) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.57 +/- 0.38   0.701% *  0.4066% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.37 +/- 0.84  97.991% * 48.3894% (0.61   0.02   0.02) =  97.860%  kept
          HN    VAL  108 - QG2   VAL   75  12.69 +/- 1.11   2.009% * 51.6106% (0.65   0.02   0.02) =   2.140%  kept
    Distance limit 3.92 A violated in 19 structures by 2.43 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 = 36.4:
      O   HN    ASP-  76 - HB3   ASP-  76   2.78 +/- 0.55  99.998% * 99.4520% (0.15  10.0   3.76  36.44) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.18 +/- 1.28   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.74, residual support = 36.4:
      O   HN    ASP-  76 - HB2   ASP-  76   2.73 +/- 0.57  99.855% * 99.6604% (0.41  10.0   3.74  36.44) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   9.29 +/- 1.61   0.079% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  11.02 +/- 1.71   0.055% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.28 +/- 1.29   0.001% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.02 +/- 2.89   0.004% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.35 +/- 1.40   0.004% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.13 +/- 1.10   0.001% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.52 +/- 2.19   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.33 +/- 1.51   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.622, residual support = 0.621:
          HN    LEU   80 - HA    THR   77   4.11 +/- 0.96  99.272% * 88.3982% (0.38   0.62   0.62) =  99.961%  kept
          HN    THR   26 - HA    THR   77  12.25 +/- 0.88   0.443% *  4.9007% (0.65   0.02   0.02) =   0.025%
          HN    CYS   53 - HA    THR   77  12.62 +/- 1.45   0.266% *  4.5948% (0.61   0.02   0.02) =   0.014%
          HN    ALA   34 - HA    THR   77  20.48 +/- 1.00   0.020% *  2.1063% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 4 structures by 0.60 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 = 27.7:
      O   HN    ASP-  78 - HA    THR   77   3.54 +/- 0.06  98.695% * 99.8470% (0.65  10.0   4.58  27.68) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.32 +/- 0.26   1.305% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, 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  37.71) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.66, residual support = 9.36:
        T QD    PHE   45 - QG2   THR   77   2.95 +/- 0.48 100.000% *100.0000% (0.80 10.00   2.66   9.36) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.59, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   3.10 +/- 0.45  66.768% * 98.1632% (0.87   3.60  11.98) =  99.781%  kept
          HN    MET   92 - QG2   THR   77   4.81 +/- 2.21  33.095% *  0.4322% (0.69   0.02   0.02) =   0.218%
          HN    LYS+  74 - QG2   THR   77   9.16 +/- 0.34   0.129% *  0.6167% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.56 +/- 1.30   0.007% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  29.28 +/- 1.56   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.08 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   2.15 +/- 0.32 100.000% *100.0000% (0.87   4.01  37.71) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.19:
          HA    ALA   20 - HB2   LYS+  74   3.59 +/- 0.43  99.722% * 98.6222% (0.61   1.50   8.19) =  99.996%  kept
          HA    LEU   71 - HB2   LYS+  74  10.01 +/- 0.72   0.278% *  1.3778% (0.64   0.02   0.02) =   0.004%
    Distance limit 3.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.19:
          HA    ALA   20 - HB3   LYS+  74   3.06 +/- 0.62  99.915% * 99.2963% (0.76   2.96   8.19) =  99.999%  kept
          HA    LEU   71 - HB3   LYS+  74  10.69 +/- 0.79   0.085% *  0.7037% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.3:
      O   HA    LYS+  74 - HB3   LYS+  74   2.96 +/- 0.08  99.979% * 99.8966% (0.80  10.0   6.20 187.29) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.36 +/- 0.54   0.012% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.69 +/- 1.03   0.008% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.3:
      O T HA    PRO   93 - HB2   PRO   93   2.58 +/- 0.21  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.33) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.55 +/- 1.08   0.001% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.479, support = 1.51, residual support = 1.28:
          HB3   MET   92 - HB3   PRO   93   5.74 +/- 0.53  11.529% * 75.1142% (0.41  1.00   1.82   1.54) =  82.938%  kept
          QG1   ILE   56 - HB3   PRO   93   3.94 +/- 1.27  84.057% *  1.8019% (0.90  1.00   0.02   0.02) =  14.506%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.88 +/- 2.46   4.110% *  6.2014% (0.31 10.00   0.02   0.02) =   2.441%  kept
        T HB2   LEU   73 - HB3   PRO   93  14.13 +/- 1.48   0.081% * 11.3752% (0.57 10.00   0.02   0.02) =   0.089%
          QD    LYS+ 106 - HB3   PRO   93  11.65 +/- 0.90   0.126% *  1.5355% (0.76  1.00   0.02   0.02) =   0.018%
          HB    ILE   89 - HB3   PRO   93  12.30 +/- 0.76   0.083% *  0.7541% (0.38  1.00   0.02   0.02) =   0.006%
          HB3   LYS+  99 - HB3   PRO   93  19.46 +/- 0.90   0.007% *  1.6088% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB3   PRO   93  19.19 +/- 1.15   0.007% *  1.6088% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 132.3:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.928% * 99.4465% (0.80  10.0   5.99 132.33) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.64 +/- 2.30   0.053% *  0.0853% (0.69   1.0   0.02   0.46) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.40 +/- 1.01   0.005% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.18 +/- 1.37   0.007% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.59 +/- 0.97   0.005% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.34 +/- 1.43   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.53 +/- 1.39   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.03 +/- 1.99   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.64 +/- 1.39   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  35.05 +/- 2.03   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   2.45 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.10 132.33) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   7.23 +/- 0.91 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.01 A violated in 20 structures by 3.22 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 2.13, residual support = 14.9:
          QD1   ILE   19 - HG2   GLN   30   4.22 +/- 1.06  79.850% * 96.3052% (0.95   2.13  14.90) =  99.871%  kept
          QG1   VAL   41 - HG2   GLN   30   7.07 +/- 1.75  17.610% *  0.4646% (0.49   0.02   0.02) =   0.106%
          QG1   VAL   43 - HG2   GLN   30   8.06 +/- 1.07   1.963% *  0.6557% (0.69   0.02   0.02) =   0.017%
          QG2   VAL   18 - HG2   GLN   30   9.73 +/- 0.71   0.464% *  0.8560% (0.90   0.02   0.02) =   0.005%
          QG2   THR   46 - HG2   GLN   30  12.99 +/- 1.06   0.078% *  0.9212% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG2   GLN   30  15.14 +/- 1.36   0.035% *  0.7973% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 3 structures by 0.52 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.54:
        T QG2   THR   26 - HG2   GLN   30   3.39 +/- 0.44  99.755% * 87.3618% (0.61 10.00   0.75   4.54) =  99.998%  kept
        T HD3   LYS+  74 - HG2   GLN   30  13.10 +/- 0.73   0.035% *  2.1746% (0.57 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   GLN   30   9.98 +/- 0.83   0.183% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  18.66 +/- 1.42   0.005% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  22.12 +/- 2.05   0.002% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.10 +/- 1.60   0.002% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  16.90 +/- 1.31   0.010% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.02 +/- 1.71   0.007% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.67 +/- 1.90   0.001% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.98, residual support = 231.7:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.57 +/- 0.27  99.986% * 99.8036% (0.95  10.0 10.00   6.98 231.71) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  12.86 +/- 1.30   0.008% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  13.68 +/- 1.01   0.006% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.2, residual support = 231.7:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.51 +/- 0.25  99.997% * 99.8561% (0.73  10.0 10.00   6.20 231.71) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.64 +/- 1.46   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.73 +/- 1.59   0.002% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  30.18 +/- 1.86   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.67, residual support = 231.7:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.18 +/- 0.58  99.978% * 99.7523% (0.97  10.0   5.67 231.71) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.02 +/- 2.00   0.016% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.58 +/- 1.40   0.005% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  22.08 +/- 1.60   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  40.34 +/- 1.94   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 231.7:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.64 +/- 0.44  99.876% * 99.6310% (0.84  10.0   5.71 231.71) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.70 +/- 0.71   0.120% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  17.93 +/- 1.05   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.54 +/- 0.51   0.002% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  22.27 +/- 1.38   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  22.55 +/- 1.50   0.000% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  25.57 +/- 1.23   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  41.03 +/- 1.67   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.0, residual support = 4.95:
          HA    PHE   72 - HB    VAL   42   3.36 +/- 0.88  97.431% * 98.9187% (0.85   2.00   4.95) =  99.994%  kept
          HA    MET   96 - HB    VAL   42   7.43 +/- 0.68   2.549% *  0.2247% (0.19   0.02   0.02) =   0.006%
          HA    PHE   72 - HB2   LYS+ 112  20.68 +/- 1.51   0.005% *  0.6981% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.55 +/- 0.88   0.014% *  0.1586% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.48, residual support = 87.9:
      O   HN    VAL   42 - HB    VAL   42   2.56 +/- 0.24  94.541% * 85.1364% (0.80  10.0   5.50  88.69) =  99.052%  kept
          HN    LEU   73 - HB    VAL   42   4.43 +/- 0.68   5.277% * 14.5979% (0.80   1.0   3.43   1.21) =   0.948%  kept
          HN    ILE   19 - HB    VAL   42   7.82 +/- 0.85   0.130% *  0.0256% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  10.84 +/- 1.17   0.047% *  0.0597% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.22 +/- 1.04   0.004% *  0.0421% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.49 +/- 1.48   0.000% *  0.0601% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.93 +/- 1.20   0.000% *  0.0601% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  23.32 +/- 1.47   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.514, support = 1.72, residual support = 4.04:
          QD    PHE   60 - HB    VAL   42   7.21 +/- 1.59  18.649% * 88.2125% (0.66   2.00   4.76) =  72.450%  kept
          QD    PHE   55 - HB2   LYS+ 112   4.64 +/- 1.44  78.602% *  7.9467% (0.12   0.99   2.13) =  27.509%  kept
          HN    LYS+  66 - HB    VAL   42   9.84 +/- 0.64   1.537% *  0.3209% (0.24   0.02   0.02) =   0.022%
          HE3   TRP   27 - HB    VAL   42  11.01 +/- 0.72   0.829% *  0.2878% (0.22   0.02   0.02) =   0.011%
          QD    PHE   60 - HB2   LYS+ 112  12.68 +/- 1.56   0.262% *  0.6225% (0.47   0.02   0.02) =   0.007%
          HN    LYS+  81 - HB    VAL   42  21.55 +/- 1.69   0.014% *  1.1441% (0.86   0.02   0.02) =   0.001%
          QD    PHE   55 - HB    VAL   42  16.74 +/- 0.99   0.061% *  0.2284% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   LYS+ 112  17.39 +/- 1.33   0.038% *  0.2265% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   LYS+ 112  28.07 +/- 1.94   0.002% *  0.8074% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  24.29 +/- 1.14   0.006% *  0.2031% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 7 structures by 0.66 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.467, support = 0.758, residual support = 4.95:
        T QD    PHE   72 - HB    VAL   42   3.40 +/- 0.99  85.747% * 80.0309% (0.46 10.00   0.75   4.95) =  96.537%  kept
          HZ    PHE   72 - HB    VAL   42   5.33 +/- 1.29  13.696% * 17.9684% (0.78  1.00   0.99   4.95) =   3.462%  kept
          QE    PHE   45 - HB    VAL   42   9.12 +/- 0.54   0.519% *  0.1385% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  17.28 +/- 1.22   0.012% *  1.5075% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  18.61 +/- 1.92   0.008% *  0.2570% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.37 +/- 1.27   0.018% *  0.0977% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.49 +/- 0.19  99.972% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.27 +/- 1.32   0.028% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.91 +/- 0.06  99.951% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.80 +/- 1.17   0.049% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.19:
      O   HN    SER   13 - HA    ALA   12   2.46 +/- 0.30  99.998% * 99.9814% (0.84  10.0   1.72   5.19) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  16.21 +/- 0.85   0.002% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.5:
      O   HN    ALA   12 - HA    ALA   12   2.61 +/- 0.23  99.999% * 99.8617% (0.85  10.0   2.38  12.50) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.48 +/- 1.90   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.10 +/- 1.57   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.88 +/- 1.11   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.5:
      O   HN    ALA   12 - QB    ALA   12   2.91 +/- 0.05  99.995% * 99.7294% (0.46  10.0   2.29  12.50) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.49 +/- 1.77   0.004% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.51 +/- 1.26   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.79 +/- 1.57   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.52, residual support = 12.0:
      O   HN    ALA   12 - HA    MET   11   2.52 +/- 0.13  99.893% * 99.5700% (0.65  10.0   3.52  11.95) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.07 +/- 0.43   0.105% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  17.83 +/- 1.77   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  21.53 +/- 2.72   0.000% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.06 +/- 1.16   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  30.66 +/- 1.81   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.24 +/- 0.98   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  37.11 +/- 1.15   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 = 3.58, residual support = 12.0:
          HN    ALA   12 - HG3   MET   11   4.00 +/- 0.17  99.159% * 98.7277% (0.97   3.58  11.95) =  99.998%  kept
          HN    ALA   12 - HB3   GLU-  14   9.19 +/- 0.66   0.809% *  0.1960% (0.34   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   GLU-  14  17.12 +/- 1.80   0.022% *  0.1150% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  22.42 +/- 2.61   0.005% *  0.3239% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.54 +/- 1.11   0.003% *  0.0835% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  31.42 +/- 2.03   0.000% *  0.2352% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  28.04 +/- 1.16   0.001% *  0.0835% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  37.74 +/- 1.44   0.000% *  0.2352% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.12, residual support = 6.72:
      O   HN    GLU-  14 - HA    SER   13   2.49 +/- 0.21  99.967% * 99.1146% (0.92  10.0   2.12   6.72) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  13.62 +/- 2.01   0.009% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  12.77 +/- 0.69   0.006% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  12.94 +/- 1.09   0.006% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.56 +/- 0.99   0.003% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  18.02 +/- 1.92   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.12 +/- 1.36   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.95 +/- 0.69   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.47 +/- 0.59   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.80 +/- 2.84   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.39 +/- 1.86   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.53 +/- 0.86   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  22.53 +/- 1.36   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  20.20 +/- 2.01   0.000% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.19 +/- 0.56   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.57 +/- 1.69   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  30.71 +/- 2.35   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  34.17 +/- 2.12   0.000% *  0.0780% (0.73   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 = 0.575, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.71 +/- 1.23  12.179% * 21.8157% (0.99   0.02   0.02) =  25.543%  kept
          HN    LEU   73 - HA    THR   46  11.30 +/- 0.52  33.986% *  7.5418% (0.34   0.02   0.02) =  24.642%  kept
          HN    ILE   19 - HA    THR   46  13.27 +/- 0.91  13.469% * 13.2032% (0.60   0.02   0.02) =  17.097%  kept
          HN    VAL   42 - HA    SER   37  13.03 +/- 0.40  14.357% *  6.6588% (0.30   0.02   0.02) =   9.191%  kept
          HN    ILE   19 - HA    SER   37  15.06 +/- 0.82   6.387% * 11.6574% (0.53   0.02   0.02) =   7.158%  kept
          HN    VAL   42 - HA    THR   46  14.11 +/- 0.37   8.849% *  7.5418% (0.34   0.02   0.02) =   6.416%  kept
          HN    LEU   73 - HA    SER   37  15.44 +/- 0.71   5.292% *  6.6588% (0.30   0.02   0.02) =   3.388%  kept
          HN    LEU   73 - HA    SER   13  17.27 +/- 1.15   2.815% * 12.4613% (0.57   0.02   0.02) =   3.372%  kept
          HN    VAL   42 - HA    SER   13  17.38 +/- 0.99   2.666% * 12.4613% (0.57   0.02   0.02) =   3.194%  kept
    Distance limit 3.32 A violated in 20 structures by 6.08 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.44, residual support = 26.6:
      O   HN    SER   37 - HB3   SER   37   2.51 +/- 0.15  99.986% * 99.5355% (0.83  10.0   3.44  26.57) = 100.000%  kept
          HN    SER   37 - QB    SER   13  14.44 +/- 2.73   0.009% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  14.84 +/- 0.84   0.003% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.81 +/- 1.49   0.001% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.56 +/- 1.50   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.98 +/- 1.29   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  28.49 +/- 1.45   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  31.48 +/- 1.79   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.91 +/- 1.56  59.022% * 22.8936% (0.69   0.02   0.02) =  73.956%  kept
          HA    LEU  104 - HB3   GLU-  14  25.41 +/- 1.27  18.740% * 12.5086% (0.38   0.02   0.02) =  12.830%  kept
          HA    TRP   87 - HB3   GLU-  14  32.94 +/- 1.81   3.960% * 33.2545% (1.00   0.02   0.02) =   7.209%  kept
          HA    PHE   59 - HG3   MET   11  30.82 +/- 1.52   5.893% *  8.1279% (0.24   0.02   0.02) =   2.622%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.89 +/- 1.65   5.695% *  5.1424% (0.15   0.02   0.02) =   1.603%  kept
          HA    LEU  104 - HG3   MET   11  32.83 +/- 2.21   4.631% *  4.4409% (0.13   0.02   0.02) =   1.126%  kept
          HA    TRP   87 - HG3   MET   11  42.91 +/- 2.71   0.824% * 11.8063% (0.35   0.02   0.02) =   0.532%  kept
          HA    ASP- 113 - HG3   MET   11  40.20 +/- 1.93   1.235% *  1.8257% (0.05   0.02   0.02) =   0.123%
    Distance limit 3.51 A violated in 20 structures by 15.61 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 = 47.3:
      O   HN    GLU-  14 - HB3   GLU-  14   3.39 +/- 0.33  99.677% * 99.5831% (0.92  10.0   3.76  47.26) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.54 +/- 0.98   0.302% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  16.04 +/- 1.33   0.012% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.49 +/- 1.98   0.004% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.62 +/- 1.25   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  23.45 +/- 2.74   0.002% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.26 +/- 2.20   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.71 +/- 2.29   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  30.47 +/- 1.64   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  40.35 +/- 2.74   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 = 47.3:
      O   HN    GLU-  14 - HB2   GLU-  14   2.62 +/- 0.50  99.939% * 99.3938% (0.49  10.0   3.76  47.26) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.77 +/- 0.96   0.052% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  16.73 +/- 1.54   0.004% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  19.97 +/- 2.15   0.002% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.62 +/- 1.31   0.001% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  22.74 +/- 2.70   0.001% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  19.99 +/- 2.10   0.001% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.78 +/- 2.62   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  28.05 +/- 2.57   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.43 +/- 1.06   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.61 +/- 1.84   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.56 +/- 1.19   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.05:
      O   HN    GLY   16 - HA    GLU-  15   2.61 +/- 0.13  99.976% * 99.5949% (0.97  10.0   2.07   6.05) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.00 +/- 1.47   0.016% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  16.20 +/- 2.60   0.006% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.23 +/- 1.19   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  24.18 +/- 1.25   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  25.51 +/- 2.58   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  26.63 +/- 1.59   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.34 +/- 1.50   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  26.56 +/- 3.50   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 = 6.0, residual support = 105.4:
      O   HN    ASN   28 - HA    ASN   28   2.69 +/- 0.02  99.999% * 99.8927% (0.84  10.0   6.00 105.38) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.35 +/- 0.60   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.57, residual support = 18.2:
        T HB2   LEU   31 - HA    ASN   28   3.31 +/- 0.27  98.737% * 93.5437% (0.38 10.00   2.57  18.24) =  99.998%  kept
          HG    LEU   98 - HA    ASN   28  10.02 +/- 1.20   0.210% *  0.2405% (0.97  1.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ASN   28  15.05 +/- 2.33   0.019% *  2.4869% (1.00 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ASN   28   8.25 +/- 0.66   0.476% *  0.0935% (0.38  1.00   0.02   3.14) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.28 +/- 1.59   0.410% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  14.04 +/- 4.30   0.062% *  0.1311% (0.53  1.00   0.02   0.25) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.27 +/- 1.18   0.020% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.62 +/- 0.54   0.036% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  23.55 +/- 1.80   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  16.50 +/- 1.28   0.009% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  15.68 +/- 1.70   0.012% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  19.83 +/- 1.21   0.002% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  18.61 +/- 1.08   0.004% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.70 +/- 1.14   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  25.39 +/- 1.77   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.57 +/- 1.27   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 18.2:
          HG    LEU   31 - HA    ASN   28   3.28 +/- 0.97  97.043% * 97.1720% (0.61   3.00  18.24) =  99.974%  kept
          QD2   LEU   73 - HA    ASN   28   7.00 +/- 0.46   2.943% *  0.8162% (0.76   0.02   3.14) =   0.025%
          QD1   ILE   56 - HA    ASN   28  18.54 +/- 1.32   0.007% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  21.53 +/- 2.15   0.004% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  22.11 +/- 2.24   0.003% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.21:
      O   HN    GLY   16 - HA2   GLY   16   2.86 +/- 0.13  99.999% * 99.8461% (0.97  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.65 +/- 1.37   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.12 +/- 1.43   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.50 +/- 0.05  99.190% * 99.5709% (0.65  10.0   3.26  16.52) =  99.999%  kept
          HD21  ASN   69 - HA2   GLY   16   9.25 +/- 1.82   0.750% *  0.0690% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA2   GLY   16  12.56 +/- 1.14   0.055% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  18.81 +/- 0.74   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.65 +/- 0.86   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  31.02 +/- 1.45   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  29.62 +/- 0.83   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.17 +/- 0.07  99.200% * 99.5709% (0.65  10.0   3.26  16.52) =  99.999%  kept
          HD21  ASN   69 - HA1   GLY   16   8.41 +/- 1.74   0.752% *  0.0690% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA1   GLY   16  11.91 +/- 1.18   0.044% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  17.89 +/- 1.00   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  25.67 +/- 0.92   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  29.84 +/- 1.59   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  28.57 +/- 1.01   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA1   GLY   16   2.32 +/- 0.14 100.000% * 99.6694% (0.57  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.53 +/- 1.19   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  27.31 +/- 1.60   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.38 +/- 1.55   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.86 +/- 0.93   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.6:
      O T HB3   GLN   17 - QG    GLN   17   2.39 +/- 0.12  98.910% * 99.0943% (0.58  10.0 10.00   4.31  84.56) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   7.60 +/- 2.01   0.481% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB    VAL   70   6.46 +/- 0.22   0.272% *  0.0260% (0.15   1.0  1.00   0.02  32.83) =   0.000%
          HB2   LEU   71 - QG    GLN   17   9.92 +/- 1.51   0.036% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.57 +/- 0.69   0.016% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.57 +/- 1.35   0.152% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.93 +/- 1.41   0.030% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.26 +/- 1.14   0.040% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.19 +/- 0.43   0.035% *  0.0066% (0.04   1.0  1.00   0.02   2.72) =   0.000%
          HB    VAL   41 - QG    GLN   17  13.73 +/- 1.64   0.004% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.88 +/- 1.99   0.001% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.50 +/- 1.13   0.003% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.48 +/- 0.87   0.016% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.36 +/- 1.12   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.91 +/- 1.33   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  19.16 +/- 1.87   0.001% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.36 +/- 0.60   0.002% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.75 +/- 1.43   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 = 0.492, support = 5.5, residual support = 84.2:
          HN    GLN   17 - QG    GLN   17   2.77 +/- 0.56  94.559% * 88.7304% (0.49   5.50  84.56) =  99.442%  kept
          HD21  ASN   69 - HB    VAL   70   5.28 +/- 0.98   4.914% *  9.5751% (0.07   4.18  26.24) =   0.558%  kept
          HN    GLN   17 - HB    VAL   70   7.96 +/- 0.60   0.379% *  0.0660% (0.10   0.02   0.02) =   0.000%
          HN    ALA   61 - QG    GLN   17  10.78 +/- 1.34   0.077% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.39 +/- 1.17   0.036% *  0.2234% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  12.42 +/- 1.17   0.022% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.63 +/- 1.30   0.008% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.99 +/- 1.01   0.001% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  26.25 +/- 1.38   0.000% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  24.49 +/- 0.92   0.000% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  16.69 +/- 0.60   0.003% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  26.73 +/- 1.71   0.000% *  0.0817% (0.13   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  24.12 +/- 1.24   0.000% *  0.0420% (0.06   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  26.35 +/- 1.10   0.000% *  0.0497% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.89 +/- 0.47  98.514% * 99.7451% (0.76   5.81  50.08) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.37 +/- 1.31   0.923% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70   9.73 +/- 0.81   0.497% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.38 +/- 1.59   0.024% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  15.60 +/- 1.17   0.029% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.57 +/- 0.64   0.013% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.05 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   3.00 +/- 0.33  99.936% * 99.5709% (0.65  10.0   5.17  84.56) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  12.13 +/- 1.18   0.036% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.00 +/- 1.22   0.022% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  15.83 +/- 0.78   0.005% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.31 +/- 1.13   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  28.97 +/- 1.75   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  27.02 +/- 1.06   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 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   3.85 +/- 0.04  99.729% * 99.8372% (1.00   5.47  50.08) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.66 +/- 0.92   0.260% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  17.81 +/- 1.02   0.011% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.11 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   2.79 +/- 0.32  98.427% * 99.4149% (0.76  10.0 10.00   4.00  84.56) =  99.998%  kept
          QB    LYS+  65 - HA    GLN   17   6.95 +/- 1.43   1.386% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    GLN   17  10.18 +/- 1.14   0.059% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    GLN   17   9.33 +/- 1.19   0.112% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  14.16 +/- 1.36   0.009% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.90 +/- 2.05   0.003% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.40 +/- 0.89   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.60 +/- 1.12   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.42 +/- 1.24   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.04 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  99.832% * 94.0226% (0.18  10.0 10.00   4.00  84.56) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.20 +/- 0.34   0.054% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HB3   PRO   68  11.10 +/- 3.06   0.007% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   8.03 +/- 1.91   0.034% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   7.08 +/- 0.59   0.027% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.28 +/- 1.47   0.016% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   8.79 +/- 1.49   0.011% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.34 +/- 1.46   0.003% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.70 +/- 1.53   0.005% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.37 +/- 1.51   0.004% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.10 +/- 1.01   0.002% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.45 +/- 1.20   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.15 +/- 2.20   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.60 +/- 1.41   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.68 +/- 2.20   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.58 +/- 0.83   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.27 +/- 1.27   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  15.06 +/- 1.23   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.99 +/- 2.30   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  22.62 +/- 2.44   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.39 +/- 1.15   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.69 +/- 0.81   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.15 +/- 1.64   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.31 +/- 1.89   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.89 +/- 1.07   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.23 +/- 1.09   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.68 +/- 1.13   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 34.9:
      O   HA    PRO   68 - HB3   PRO   68   2.32 +/- 0.09  93.930% * 99.9155% (0.19  10.0   2.96  34.95) =  99.997%  kept
          HA    PRO   68 - QB    GLU-  15   6.09 +/- 2.35   6.041% *  0.0447% (0.08   1.0   0.02   0.02) =   0.003%
          HA    PRO   68 - HB2   GLN   17  10.45 +/- 2.39   0.028% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   2.75 +/- 0.22  99.077% * 97.9601% (0.24   5.47  50.08) =  99.998%  kept
          HN    VAL   18 - QB    GLU-  15   8.24 +/- 0.27   0.156% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - QB    GLU-  15   6.57 +/- 0.53   0.688% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    VAL   18 - HB3   PRO   68  11.69 +/- 2.55   0.042% *  0.8982% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  14.39 +/- 3.28   0.012% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.86 +/- 0.93   0.020% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  16.40 +/- 1.31   0.004% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.59 +/- 0.53   0.002% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.92 +/- 1.35   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.40 +/- 0.02  99.999% * 99.9233% (0.84  10.0   5.47  50.08) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.18 +/- 0.67   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  26.14 +/- 0.80   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.45:
        T QB    ALA   64 - HA    GLN   17   3.75 +/- 0.91  99.209% * 97.4197% (0.69 10.00   1.22   2.45) =  99.991%  kept
        T QG1   VAL   42 - HA    GLN   17   9.41 +/- 0.76   0.756% *  1.1284% (0.49 10.00   0.02   0.02) =   0.009%
        T QB    ALA   47 - HA    GLN   17  16.35 +/- 1.11   0.031% *  1.4060% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  21.73 +/- 1.76   0.005% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 8 structures by 0.81 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.4:
      O   HN    VAL   18 - HB    VAL   18   2.37 +/- 0.36  99.998% * 99.9233% (0.84  10.0   4.99  77.43) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  15.95 +/- 0.62   0.002% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  22.08 +/- 0.91   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 6.98:
        T HB2   PHE   72 - HA    VAL   18   3.12 +/- 0.63  95.353% * 99.1293% (0.49 10.00   1.50   6.99) =  99.987%  kept
          HA    ALA   64 - HA    VAL   18   5.80 +/- 0.80   4.642% *  0.2662% (0.98  1.00   0.02   8.59) =   0.013%
        T HB3   ASN   35 - HA    VAL   18  17.73 +/- 1.22   0.005% *  0.6045% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.86, residual support = 22.6:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.03  98.922% * 99.7159% (0.73  10.0   4.86  22.63) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.07 +/- 0.60   0.990% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   7.46 +/- 0.81   0.088% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.72 +/- 1.08   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.588, support = 0.0198, residual support = 0.241:
          HG    LEU   73 - QG1   VAL   18   5.68 +/- 0.86  55.857% *  8.7275% (0.61   0.02   0.02) =  72.515%  kept
          QB    ALA   61 - QG1   VAL   18   6.53 +/- 0.98  31.182% *  2.2202% (0.15   0.02   2.17) =  10.298%  kept
          HG    LEU   67 - QG1   VAL   18   9.67 +/- 1.80   3.784% * 14.3572% (1.00   0.02   0.02) =   8.082%  kept
          HG    LEU   40 - QG1   VAL   18  10.85 +/- 1.44   1.363% * 14.2618% (0.99   0.02   0.02) =   2.891%  kept
          HB3   LEU   67 - QG1   VAL   18   9.04 +/- 1.32   4.480% *  3.5880% (0.25   0.02   0.02) =   2.391%  kept
          HB3   LEU   40 - QG1   VAL   18  10.87 +/- 1.33   1.332% *  6.4511% (0.45   0.02   0.02) =   1.278%  kept
          QG    LYS+  66 - QG1   VAL   18  10.87 +/- 1.04   1.090% *  5.9156% (0.41   0.02   0.02) =   0.959%  kept
          HB3   LEU  115 - QG1   VAL   18  13.19 +/- 0.99   0.368% * 14.2618% (0.99   0.02   0.02) =   0.782%  kept
          HG    LEU  115 - QG1   VAL   18  14.30 +/- 1.51   0.302% *  9.8840% (0.69   0.02   0.02) =   0.444%
          QB    ALA  120 - QG1   VAL   18  14.64 +/- 1.11   0.190% *  9.8840% (0.69   0.02   0.02) =   0.279%
          HG2   LYS+ 102 - QG1   VAL   18  18.19 +/- 1.35   0.052% * 10.4487% (0.73   0.02   0.02) =   0.081%
    Distance limit 2.87 A violated in 20 structures by 2.20 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 = 9.27:
        T QB    ALA   34 - QG1   VAL   41   1.99 +/- 0.36  99.778% * 97.8928% (0.49 10.00   2.96   9.27) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.00 +/- 0.92   0.010% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.68 +/- 1.28   0.095% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   9.07 +/- 1.23   0.028% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.69 +/- 1.17   0.002% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  11.30 +/- 1.30   0.008% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.58 +/- 0.61   0.014% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.59 +/- 0.89   0.009% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.64 +/- 0.70   0.003% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.06 +/- 0.77   0.036% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  16.75 +/- 2.57   0.001% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.24 +/- 1.69   0.013% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  17.91 +/- 1.09   0.000% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  16.71 +/- 0.57   0.000% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.47 +/- 0.99   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.92 +/- 1.03   0.002% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  16.96 +/- 1.15   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  19.50 +/- 1.42   0.000% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 4.0, residual support = 74.7:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  85.566% * 97.9411% (0.84  10.0 10.00   4.00  74.75) =  99.994%  kept
          HB2   LEU   71 - QG1   VAL   41   4.49 +/- 1.37   4.852% *  0.0805% (0.69   1.0  1.00   0.02   3.03) =   0.005%
          QB    LYS+ 102 - QD2   LEU  104   3.43 +/- 0.68   8.255% *  0.0053% (0.04   1.0  1.00   0.02   0.11) =   0.001%
          QB    LYS+  65 - QG2   VAL   18   6.80 +/- 1.02   0.145% *  0.0651% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.37 +/- 0.66   0.441% *  0.0177% (0.15   1.0  1.00   0.02  50.08) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.63 +/- 1.36   0.072% *  0.0979% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   7.24 +/- 1.09   0.084% *  0.0805% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  10.49 +/- 0.91   0.008% *  0.7485% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.11 +/- 1.05   0.042% *  0.0526% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.45 +/- 0.73   0.026% *  0.0865% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.39 +/- 0.78   0.029% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.53 +/- 0.73   0.396% *  0.0043% (0.04   1.0  1.00   0.02  36.96) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.28 +/- 1.65   0.009% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.24 +/- 0.78   0.003% *  0.1132% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.64 +/- 1.64   0.053% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.43 +/- 0.46   0.001% *  0.0851% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.56 +/- 1.68   0.004% *  0.0232% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.72 +/- 1.76   0.002% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.17 +/- 2.50   0.001% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.00 +/- 1.09   0.001% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.92 +/- 0.97   0.000% *  0.1149% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.53 +/- 1.47   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.08 +/- 0.82   0.000% *  0.0748% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.36 +/- 1.74   0.003% *  0.0061% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  12.42 +/- 2.11   0.003% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  19.97 +/- 1.08   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.10 +/- 1.17   0.001% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.12 +/- 1.03   0.000% *  0.0062% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.26 +/- 1.22   0.000% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.15 +/- 1.17   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.601, support = 2.45, residual support = 13.2:
          HB3   LEU   40 - QG1   VAL   41   5.21 +/- 0.34   4.463% * 83.5613% (0.46   3.79  20.83) =  62.919%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.19 +/- 1.66  17.300% *  8.5910% (0.76   0.24   0.02) =  25.076%  kept
          HB2   LYS+  74 - QG2   VAL   18   3.49 +/- 0.95  74.590% *  0.9425% (0.99   0.02   0.99) =  11.861%  kept
          QG2   THR   26 - QG1   VAL   41   8.43 +/- 1.26   0.464% *  0.6070% (0.64   0.02   0.02) =   0.047%
          QG2   THR   26 - QG2   VAL   18   8.68 +/- 0.44   0.196% *  0.7942% (0.84   0.02   0.02) =   0.026%
          HB3   LEU   40 - QD2   LEU  104   6.73 +/- 1.12   1.693% *  0.0886% (0.09   0.02   0.02) =   0.025%
          HD2   LYS+ 121 - QD2   LEU  104   8.00 +/- 2.01   0.727% *  0.1004% (0.11   0.02   0.02) =   0.012%
          HB2   LYS+  74 - QG1   VAL   41  10.96 +/- 1.18   0.067% *  0.7203% (0.76   0.02   0.02) =   0.008%
          HB3   LEU   40 - QG2   VAL   18  10.77 +/- 1.14   0.073% *  0.5767% (0.61   0.02   0.02) =   0.007%
          QD    LYS+  66 - QG2   VAL   18   9.56 +/- 0.72   0.138% *  0.2935% (0.31   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - QG1   VAL   41  12.83 +/- 2.10   0.030% *  0.4992% (0.52   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - QG2   VAL   18  14.57 +/- 1.78   0.013% *  0.6532% (0.69   0.02   0.02) =   0.001%
          HG    LEU  115 - QG2   VAL   18  13.24 +/- 1.45   0.021% *  0.3569% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.62 +/- 0.94   0.017% *  0.3569% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.00 +/- 1.30   0.106% *  0.0548% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  14.63 +/- 1.01   0.010% *  0.5554% (0.58   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  13.05 +/- 1.10   0.020% *  0.2243% (0.24   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  13.92 +/- 1.34   0.014% *  0.2727% (0.29   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD2   LEU  104  13.10 +/- 2.26   0.031% *  0.0451% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  16.85 +/- 1.10   0.004% *  0.2727% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.04 +/- 0.89   0.008% *  0.1220% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.66 +/- 1.22   0.004% *  0.1448% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  14.85 +/- 0.63   0.008% *  0.0548% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.30 +/- 1.27   0.003% *  0.1117% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 2.17:
        T HA    ALA   61 - QG2   VAL   18   4.46 +/- 1.09  93.330% * 97.0304% (0.87 10.00   0.75   2.17) =  99.985%  kept
        T HA    ALA   61 - QG1   VAL   41  13.59 +/- 0.81   0.187% *  1.9774% (0.66 10.00   0.02   0.02) =   0.004%
          HD2   PRO   68 - QG2   VAL   18  10.01 +/- 0.90   1.226% *  0.2924% (0.98  1.00   0.02   0.02) =   0.004%
          HD2   PRO   68 - QG1   VAL   41  11.12 +/- 1.34   1.040% *  0.2234% (0.75  1.00   0.02   0.02) =   0.003%
          HA    VAL   24 - QG1   VAL   41   9.46 +/- 1.07   1.910% *  0.1110% (0.37  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QG2   VAL   18  11.30 +/- 0.59   0.733% *  0.1452% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   18  10.52 +/- 0.82   0.747% *  0.0590% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  12.19 +/- 2.35   0.596% *  0.0449% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.40 +/- 1.07   0.059% *  0.0398% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  17.81 +/- 0.94   0.045% *  0.0451% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  15.79 +/- 1.19   0.090% *  0.0223% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.27 +/- 1.32   0.037% *  0.0091% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 13 structures by 1.65 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.25, residual support = 74.7:
      O T HA    VAL   41 - QG1   VAL   41   2.61 +/- 0.38  99.077% * 98.8372% (0.65  10.0 10.00   4.25  74.75) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18   8.81 +/- 0.84   0.095% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   18   8.34 +/- 0.77   0.154% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.66 +/- 0.85   0.099% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.49 +/- 2.41   0.060% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.25 +/- 0.51   0.012% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   7.79 +/- 2.66   0.492% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.53 +/- 0.88   0.007% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.84 +/- 1.05   0.003% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.983, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - QG1   VAL   18   5.21 +/- 1.13  93.097% * 36.4324% (1.00   0.02   0.02) =  96.380%  kept
          HN    LYS+  66 - QG1   VAL   18   9.41 +/- 1.03   3.729% * 25.0257% (0.69   0.02   0.02) =   2.652%  kept
          QE    PHE   59 - QG1   VAL   18  10.35 +/- 1.93   2.802% *  8.1111% (0.22   0.02   0.02) =   0.646%  kept
          HN    LYS+  81 - QG1   VAL   18  14.70 +/- 1.14   0.372% * 30.4309% (0.84   0.02   0.02) =   0.322%
    Distance limit 3.03 A violated in 18 structures by 2.17 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 = 77.4:
          HN    VAL   18 - QG1   VAL   18   3.53 +/- 0.16  99.971% * 99.8233% (0.92   5.49  77.43) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  14.02 +/- 0.86   0.029% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.309, support = 0.987, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.13 +/- 0.25  99.464% * 88.9033% (0.31   0.99   0.99) =  99.974%  kept
          HN    THR   46 - QG1   VAL   18   7.95 +/- 0.79   0.507% *  4.2387% (0.73   0.02   0.02) =   0.024%
          HN    MET   92 - QG1   VAL   18  12.92 +/- 1.45   0.027% *  5.2350% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - QG1   VAL   18  18.12 +/- 0.96   0.003% *  1.6230% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.86, residual support = 22.6:
          HN    ILE   19 - QG1   VAL   18   2.61 +/- 0.32  89.264% * 99.8053% (0.84   4.86  22.63) =  99.988%  kept
          HN    LEU   73 - QG1   VAL   18   4.09 +/- 0.90  10.442% *  0.0973% (0.20   0.02   0.02) =   0.011%
          HN    VAL   42 - QG1   VAL   18   6.98 +/- 1.07   0.294% *  0.0973% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.799, support = 0.0197, residual support = 0.0197:
          QD    PHE   60 - QG2   VAL   18   4.39 +/- 0.91  89.307% * 13.8337% (0.80   0.02   0.02) =  90.647%  kept
          HN    LYS+  66 - QG2   VAL   18   7.55 +/- 0.80   5.389% * 16.9341% (0.98   0.02   0.02) =   6.696%  kept
          QE    PHE   59 - QG2   VAL   18   9.44 +/- 1.79   1.784% *  9.7810% (0.57   0.02   0.02) =   1.280%  kept
          QD    PHE   60 - QG1   VAL   41  11.02 +/- 1.19   0.569% * 10.5721% (0.61   0.02   0.02) =   0.441%
          HN    PHE   59 - QG2   VAL   18   9.52 +/- 0.83   1.204% *  3.8463% (0.22   0.02   0.02) =   0.340%
          QE    PHE   59 - QG1   VAL   41  12.32 +/- 2.37   0.369% *  7.4749% (0.43   0.02   0.02) =   0.202%
          HN    LYS+  66 - QG1   VAL   41  13.07 +/- 0.47   0.205% * 12.9415% (0.75   0.02   0.02) =   0.195%
          QE    PHE   59 - QD2   LEU  104  11.30 +/- 2.21   0.612% *  1.5030% (0.09   0.02   0.02) =   0.068%
          HN    LYS+  81 - QG2   VAL   18  15.90 +/- 1.23   0.081% *  7.7455% (0.45   0.02   0.02) =   0.046%
          HN    LYS+  66 - QD2   LEU  104  14.41 +/- 1.39   0.159% *  2.6021% (0.15   0.02   0.02) =   0.030%
          QD    PHE   60 - QD2   LEU  104  13.40 +/- 0.83   0.193% *  2.1257% (0.12   0.02   0.02) =   0.030%
          HN    LYS+  81 - QG1   VAL   41  18.97 +/- 2.30   0.027% *  5.9193% (0.34   0.02   0.02) =   0.012%
          HN    PHE   59 - QG1   VAL   41  16.29 +/- 0.89   0.049% *  2.9394% (0.17   0.02   0.02) =   0.010%
          HN    PHE   59 - QD2   LEU  104  16.63 +/- 1.23   0.046% *  0.5910% (0.03   0.02   0.02) =   0.002%
          HN    LYS+  81 - QD2   LEU  104  24.12 +/- 2.43   0.006% *  1.1902% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 14 structures by 1.26 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.28, residual support = 77.4:
          HN    VAL   18 - QG2   VAL   18   2.39 +/- 0.60  99.161% * 98.1496% (0.61   5.28  77.43) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   6.87 +/- 1.14   0.662% *  0.1168% (0.19   0.02   0.02) =   0.001%
          HN    GLU-  29 - QG1   VAL   41   8.75 +/- 0.94   0.107% *  0.3401% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  11.48 +/- 1.47   0.034% *  0.2840% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.44 +/- 0.53   0.007% *  0.4450% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  11.90 +/- 0.60   0.015% *  0.1528% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  17.96 +/- 0.87   0.001% *  0.1891% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  18.42 +/- 1.92   0.001% *  0.1445% (0.24   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.18 +/- 1.12   0.003% *  0.0684% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  14.67 +/- 1.07   0.005% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  16.72 +/- 1.21   0.002% *  0.0571% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  21.91 +/- 2.51   0.001% *  0.0291% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.56, residual support = 74.8:
          HN    VAL   41 - QG1   VAL   41   2.41 +/- 0.56  98.356% * 98.4986% (0.14   4.56  74.75) =  99.999%  kept
          HN    VAL   41 - QD2   LEU  104   6.37 +/- 0.79   1.384% *  0.0232% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  10.93 +/- 0.81   0.032% *  0.3301% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.61 +/- 0.27   0.214% *  0.0339% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.75 +/- 1.02   0.010% *  0.6316% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.67 +/- 1.08   0.004% *  0.4827% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.4:
          HN    VAL   83 - QG1   VAL   83   2.36 +/- 0.38  99.933% * 98.5353% (0.36   5.34  87.35) = 100.000%  kept
          HN    CYS   50 - QG1   VAL   83  12.92 +/- 1.64   0.028% *  0.7787% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  12.47 +/- 1.63   0.033% *  0.5083% (0.49   0.02   0.02) =   0.000%
          HE22  GLN   30 - QG1   VAL   83  12.31 +/- 1.87   0.007% *  0.1777% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.455, support = 0.716, residual support = 0.948:
          QG1   VAL   24 - QG1   VAL   83   4.37 +/- 2.20  66.779% * 29.2289% (0.46  1.00   0.58   0.95) =  56.569%  kept
          QG2   VAL   24 - QG1   VAL   83   4.99 +/- 2.43  32.303% * 45.9941% (0.46  1.00   0.91   0.95) =  43.059%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.85 +/- 2.08   0.709% * 16.7405% (0.75 10.00   0.02   0.02) =   0.344%
        T HG    LEU   63 - QG1   VAL   83  17.69 +/- 2.15   0.123% *  7.2431% (0.33 10.00   0.02   0.02) =   0.026%
          HD3   LYS+ 112 - QG1   VAL   83  21.40 +/- 2.24   0.086% *  0.7934% (0.36  1.00   0.02   0.02) =   0.002%
    Distance limit 2.93 A violated in 9 structures by 1.33 A, kept.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.429, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.24 +/- 0.23  11.127% * 27.9530% (0.14 10.00   0.02   0.02) =  35.641%  kept
          QG    GLU-  79 - HA    ILE   19  11.87 +/- 1.07  70.044% *  3.1869% (0.15  1.00   0.02   0.02) =  25.578%  kept
          HB3   PHE   97 - HA    ILE   19  17.06 +/- 1.61   9.195% * 19.0666% (0.92  1.00   0.02   0.02) =  20.089%  kept
          HB2   PRO   58 - HA    ILE   19  18.77 +/- 1.18   4.948% * 19.0666% (0.92  1.00   0.02   0.02) =  10.811%  kept
          HB2   GLU- 100 - HA    ILE   19  19.88 +/- 1.03   3.700% * 14.1878% (0.69  1.00   0.02   0.02) =   6.016%  kept
          HB2   GLN  116 - HA    ILE   19  24.41 +/- 1.15   0.985% * 16.5389% (0.80  1.00   0.02   0.02) =   1.866%  kept
    Distance limit 3.72 A violated in 20 structures by 7.42 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 = 25.6:
      O   HN    ALA   20 - HA    ILE   19   2.19 +/- 0.01  99.998% * 99.9363% (0.73  10.0   5.05  25.57) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.59 +/- 0.61   0.002% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  22.09 +/- 2.31   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 = 6.65, residual support = 172.0:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.03  99.481% * 99.8764% (0.98  10.0   6.65 172.03) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.20 +/- 0.30   0.440% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19   9.71 +/- 0.71   0.079% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.64 +/- 0.61 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.77 A violated in 2 structures by 0.20 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 172.0:
      O   HN    ILE   19 - HB    ILE   19   2.31 +/- 0.24  99.077% * 99.6598% (0.65  10.0   5.86 172.03) =  99.999%  kept
          HN    LEU   73 - HB    ILE   19   5.56 +/- 0.57   0.754% *  0.1487% (0.97   1.0   0.02   4.00) =   0.001%
          HN    VAL   42 - HB    ILE   19   7.36 +/- 0.84   0.169% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  19.00 +/- 1.21   0.000% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 172.0:
      O   HG13  ILE   19 - QG2   ILE   19   2.88 +/- 0.20  97.141% * 98.1968% (0.28  10.0   4.89 172.03) =  99.992%  kept
          QB    ALA   34 - QG2   ILE   19   6.46 +/- 1.13   1.372% *  0.3501% (0.99   1.0   0.02   0.02) =   0.005%
          QG2   THR   39 - QG2   ILE   19   7.28 +/- 0.98   0.596% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - QG2   ILE   19   7.69 +/- 0.46   0.313% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   ILE   19  13.27 +/- 2.97   0.157% *  0.3064% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.62 +/- 0.70   0.394% *  0.0478% (0.14   1.0   0.02   8.32) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  13.42 +/- 1.26   0.013% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.52 +/- 0.90   0.007% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.35 +/- 1.23   0.008% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 172.0:
      O   HG12  ILE   19 - QG2   ILE   19   2.97 +/- 0.22  83.776% * 99.0974% (0.95  10.0  1.00   5.44 172.03) =  99.989%  kept
          HG    LEU   73 - QG2   ILE   19   4.60 +/- 0.95  13.616% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.009%
          HB3   LYS+  74 - QG2   ILE   19   5.76 +/- 0.71   2.343% *  0.0393% (0.38   1.0  1.00   0.02   8.32) =   0.001%
        T QB    LEU   98 - QG2   ILE   19   9.69 +/- 1.06   0.093% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.54 +/- 1.12   0.055% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19  10.64 +/- 0.90   0.044% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  12.39 +/- 2.79   0.033% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  12.52 +/- 1.83   0.022% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.59 +/- 0.96   0.010% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.39 +/- 1.45   0.003% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  16.81 +/- 1.07   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  17.59 +/- 1.95   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 172.0:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.01  96.670% * 99.2447% (0.80  10.0   4.89 172.03) =  99.999%  kept
          HG3   GLN   30 - QG2   ILE   19   4.02 +/- 0.60   3.208% *  0.0276% (0.22   1.0   0.02  14.90) =   0.001%
          HB2   GLN   17 - QG2   ILE   19   7.14 +/- 0.36   0.072% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   8.03 +/- 0.54   0.037% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19  10.06 +/- 0.32   0.009% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.09 +/- 1.58   0.002% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.37 +/- 1.06   0.002% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.07 +/- 1.46   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  20.91 +/- 1.50   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 14.9:
          HG2   GLN   30 - QG2   ILE   19   3.33 +/- 0.72  99.667% * 96.5706% (0.65   2.13  14.90) =  99.998%  kept
          HB3   ASN   28 - QG2   ILE   19   9.82 +/- 0.44   0.248% *  0.5751% (0.41   0.02   0.02) =   0.001%
          HB3   HIS  122 - QG2   ILE   19  14.70 +/- 1.28   0.033% *  1.2135% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  16.07 +/- 2.23   0.025% *  1.3958% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  14.73 +/- 0.78   0.027% *  0.2450% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 172.0:
      O   HA    ILE   19 - QG2   ILE   19   2.76 +/- 0.30  99.934% * 99.7522% (0.92  10.0   5.75 172.03) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.77 +/- 0.34   0.061% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.28 +/- 1.18   0.003% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  17.22 +/- 1.51   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.69, residual support = 25.6:
          HN    ALA   20 - QG2   ILE   19   3.18 +/- 0.19  99.934% * 97.9155% (0.31   3.69  25.57) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19  11.20 +/- 0.77   0.063% *  1.2480% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  18.55 +/- 1.70   0.003% *  0.8365% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.75, residual support = 172.0:
          HN    ILE   19 - QG2   ILE   19   3.29 +/- 0.37  92.840% * 98.8261% (0.65   5.75 172.03) =  99.960%  kept
          HN    LEU   73 - QG2   ILE   19   5.36 +/- 0.83   5.865% *  0.5130% (0.97   0.02   4.00) =   0.033%
          HN    VAL   42 - QG2   ILE   19   7.01 +/- 0.87   1.289% *  0.5130% (0.97   0.02   0.02) =   0.007%
          HN    LYS+ 106 - QG2   ILE   19  16.69 +/- 1.02   0.007% *  0.1478% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.434, support = 0.0199, residual support = 0.258:
          QD2   LEU   67 - HG13  ILE   19  10.07 +/- 2.65  12.540% * 39.2581% (0.69   0.02   0.02) =  50.288%  kept
          QD1   LEU   40 - HG    LEU   71   7.37 +/- 1.66  48.894% *  3.3680% (0.06   0.02   1.44) =  16.821%  kept
          QD2   LEU   67 - HG    LEU   71   8.10 +/- 2.29  29.100% *  5.6275% (0.10   0.02   0.02) =  16.728%  kept
          QD1   LEU   40 - HG13  ILE   19  10.66 +/- 1.01   5.997% * 23.4959% (0.41   0.02   0.02) =  14.393%  kept
          QG2   ILE  119 - HG13  ILE   19  16.23 +/- 1.46   0.529% * 15.8904% (0.28   0.02   0.02) =   0.858%  kept
          QD1   ILE  103 - HG13  ILE   19  16.10 +/- 1.38   0.577% *  8.8183% (0.15   0.02   0.02) =   0.520%  kept
          QD1   ILE  103 - HG    LEU   71  13.62 +/- 1.25   1.529% *  1.2641% (0.02   0.02   0.02) =   0.197%
          QG2   ILE  119 - HG    LEU   71  14.68 +/- 2.25   0.834% *  2.2778% (0.04   0.02   0.02) =   0.194%
    Distance limit 2.97 A violated in 18 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 172.0:
          HN    ILE   19 - HG13  ILE   19   3.66 +/- 0.66  83.832% * 98.6377% (0.65   5.86 172.03) =  99.977%  kept
          HN    LEU   73 - HG13  ILE   19   7.45 +/- 0.91   1.387% *  0.5023% (0.97   0.02   4.00) =   0.008%
          HN    ILE   19 - HG    LEU   71   7.02 +/- 1.61   7.647% *  0.0483% (0.09   0.02   0.02) =   0.004%
          HN    VAL   42 - HG13  ILE   19   8.91 +/- 1.32   0.692% *  0.5023% (0.97   0.02   0.02) =   0.004%
          HN    VAL   42 - HG    LEU   71   6.77 +/- 0.82   4.406% *  0.0720% (0.14   0.02   2.25) =   0.004%
          HN    LEU   73 - HG    LEU   71   7.71 +/- 0.94   2.024% *  0.0720% (0.14   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG13  ILE   19  20.63 +/- 1.56   0.003% *  0.1447% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.78 +/- 2.37   0.009% *  0.0207% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 14.9:
          HE22  GLN   30 - QG2   ILE   19   3.25 +/- 0.80  99.624% * 97.3475% (0.41   2.13  14.90) =  99.997%  kept
          QE    PHE   45 - QG2   ILE   19   9.79 +/- 1.07   0.317% *  0.4390% (0.20   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG2   ILE   19  13.10 +/- 0.87   0.060% *  2.2135% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 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 = 2.0, residual support = 14.9:
          HE21  GLN   30 - QG2   ILE   19   2.70 +/- 0.80  98.446% * 97.4081% (1.00   2.00  14.90) =  99.986%  kept
          HD1   TRP   27 - QG2   ILE   19   6.11 +/- 0.60   1.528% *  0.8459% (0.87   0.02   0.02) =   0.013%
          QD    PHE   59 - QG2   ILE   19  13.42 +/- 1.29   0.024% *  0.8459% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  20.53 +/- 1.40   0.002% *  0.9002% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.26, residual support = 14.9:
          HE22  GLN   30 - QD1   ILE   19   4.44 +/- 1.16  99.811% * 94.0260% (0.25   2.26  14.90) =  99.997%  kept
          HN    CYS   50 - QD1   ILE   19  18.71 +/- 1.26   0.048% *  2.6743% (0.80   0.02   0.02) =   0.001%
          HN    VAL   83 - QD1   ILE   19  16.45 +/- 1.45   0.104% *  1.1392% (0.34   0.02   0.02) =   0.001%
          HN    TRP   49 - QD1   ILE   19  19.47 +/- 1.16   0.037% *  2.1605% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 5 structures by 0.61 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  17.94 +/- 1.18 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 14.05 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 = 25.6:
          HA    ILE   19 - QB    ALA   20   3.88 +/- 0.03  99.726% * 98.7253% (0.92   3.85  25.57) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  10.92 +/- 0.25   0.202% *  0.5558% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.70 +/- 1.59   0.045% *  0.3818% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.59 +/- 1.08   0.027% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 0.0198, residual support = 6.98:
          QE    LYS+  74 - QB    ALA   20   6.07 +/- 0.88  78.237% * 25.4326% (0.90   0.02   8.19) =  85.197%  kept
          HB2   PHE   72 - QB    ALA   20   7.99 +/- 0.65  17.775% * 16.0552% (0.57   0.02   0.02) =  12.219%  kept
          QB    CYS   50 - QB    ALA   20  12.17 +/- 1.42   1.580% * 26.1780% (0.92   0.02   0.02) =   1.771%  kept
          HB3   ASP-  78 - QB    ALA   20  11.27 +/- 1.09   2.095% *  4.9664% (0.18   0.02   0.02) =   0.446%
          HB3   ASN   69 - QB    ALA   20  15.84 +/- 0.73   0.314% * 27.3678% (0.97   0.02   0.02) =   0.368%
    Distance limit 3.56 A violated in 19 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.852, support = 1.95, residual support = 4.07:
          HD2   HIS   22 - QB    ALA   20   4.75 +/- 0.53  63.319% * 70.5534% (0.92   2.07   4.91) =  81.983%  kept
          HN    THR   23 - QB    ALA   20   5.35 +/- 0.30  36.096% * 27.1920% (0.53   1.40   0.27) =  18.012%  kept
          QE    PHE   95 - QB    ALA   20  11.62 +/- 1.07   0.343% *  0.3592% (0.49   0.02   0.02) =   0.002%
          HN    LEU   67 - QB    ALA   20  13.56 +/- 0.80   0.126% *  0.6618% (0.90   0.02   0.02) =   0.002%
          HD1   TRP   49 - QB    ALA   20  16.04 +/- 1.68   0.053% *  0.7314% (0.99   0.02   0.02) =   0.001%
          HD21  ASN   35 - QB    ALA   20  16.92 +/- 1.10   0.036% *  0.3883% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  17.46 +/- 1.15   0.027% *  0.1139% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.74, residual support = 15.2:
          HN    CYS   21 - QB    ALA   20   3.58 +/- 0.03  99.909% * 99.0938% (0.95   3.74  15.17) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.52 +/- 0.46   0.056% *  0.3400% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  16.20 +/- 1.37   0.014% *  0.1730% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.49 +/- 0.78   0.016% *  0.0982% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  19.09 +/- 1.13   0.005% *  0.2950% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.74, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.03 +/- 0.09  99.994% * 99.6086% (0.31  10.0   3.74  15.24) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.93 +/- 0.90   0.006% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.29 +/- 2.18   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.523, support = 0.0198, residual support = 0.0198:
          HB    VAL   41 - HB2   CYS   21   9.85 +/- 1.40  37.047% *  9.0526% (0.65   0.02   0.02) =  51.756%  kept
          QB    LYS+  33 - HB2   CYS   21   9.36 +/- 0.82  47.054% *  4.7734% (0.34   0.02   0.02) =  34.662%  kept
          HG12  ILE  103 - HB2   CYS   21  15.54 +/- 1.42   2.199% * 11.2053% (0.80   0.02   0.02) =   3.802%  kept
          QB    LYS+  81 - HB2   CYS   21  15.02 +/- 2.52   5.070% *  3.1155% (0.22   0.02   0.02) =   2.438%  kept
          QB    LYS+  66 - HB2   CYS   21  17.45 +/- 1.01   1.230% *  6.2738% (0.45   0.02   0.02) =   1.191%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.17 +/- 1.19   2.690% *  2.7693% (0.20   0.02   0.02) =   1.150%  kept
          HB    ILE  103 - HB2   CYS   21  18.02 +/- 1.37   0.893% *  7.3624% (0.53   0.02   0.02) =   1.015%  kept
          HB3   PRO   52 - HB2   CYS   21  21.38 +/- 1.71   0.446% * 13.7167% (0.98   0.02   0.02) =   0.944%  kept
          HG3   PRO   68 - HB2   CYS   21  19.64 +/- 1.13   0.575% *  7.9226% (0.57   0.02   0.02) =   0.703%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.30 +/- 1.12   0.606% *  6.2738% (0.45   0.02   0.02) =   0.586%  kept
          HG    LEU  123 - HB2   CYS   21  23.23 +/- 2.28   0.240% * 13.7167% (0.98   0.02   0.02) =   0.508%  kept
          HG2   PRO   93 - HB2   CYS   21  18.59 +/- 1.67   0.923% *  3.1155% (0.22   0.02   0.02) =   0.444%
          HG2   ARG+  54 - HB2   CYS   21  21.09 +/- 1.46   0.408% *  6.8115% (0.49   0.02   0.02) =   0.429%
          HB3   GLN   90 - HB2   CYS   21  19.79 +/- 1.36   0.619% *  3.8908% (0.28   0.02   0.02) =   0.372%
    Distance limit 3.65 A violated in 20 structures by 4.53 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 = 8.26:
          QD1   LEU   73 - HB2   CYS   21   3.53 +/- 0.56  87.366% * 94.3053% (0.80   1.50   8.27) =  99.911%  kept
          QD2   LEU   80 - HB2   CYS   21   8.51 +/- 3.87   8.218% *  0.6456% (0.41   0.02   0.02) =   0.064%
          QG2   VAL   41 - HB2   CYS   21   7.21 +/- 0.88   1.649% *  0.5894% (0.38   0.02   0.02) =   0.012%
          QD1   LEU   80 - HB2   CYS   21   9.60 +/- 4.00   2.359% *  0.3496% (0.22   0.02   0.02) =   0.010%
          QD2   LEU   98 - HB2   CYS   21   9.60 +/- 1.32   0.308% *  0.3496% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   CYS   21  12.89 +/- 1.59   0.046% *  1.2574% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  13.53 +/- 1.21   0.034% *  1.4496% (0.92   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   CYS   21  15.59 +/- 0.93   0.014% *  0.3496% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   CYS   21  17.73 +/- 1.47   0.006% *  0.7040% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.15 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.55, residual support = 28.3:
      O T HA    CYS   21 - HB2   CYS   21   2.82 +/- 0.31  99.995% * 99.6850% (0.92  10.0 10.00   2.55  28.33) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.13 +/- 1.38   0.002% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.27 +/- 1.43   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  20.79 +/- 1.47   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  22.12 +/- 1.97   0.001% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.672, support = 2.47, residual support = 4.99:
          HN    THR   23 - HB2   CYS   21   4.19 +/- 0.67  87.154% * 19.5879% (0.53   1.67   4.59) =  63.142%  kept
          HD2   HIS   22 - HB2   CYS   21   6.31 +/- 0.42  12.606% * 79.0476% (0.92   3.83   5.69) =  36.855%  kept
          QE    PHE   95 - HB2   CYS   21  13.10 +/- 0.82   0.123% *  0.2174% (0.49   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   CYS   21  14.75 +/- 1.28   0.072% *  0.2350% (0.53   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  17.00 +/- 1.14   0.030% *  0.4005% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  20.19 +/- 1.47   0.009% *  0.4427% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  21.65 +/- 0.85   0.005% *  0.0689% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.36, residual support = 28.3:
      O   HN    CYS   21 - HB2   CYS   21   2.65 +/- 0.35  99.929% * 99.8294% (0.95  10.0   3.36  28.33) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.24 +/- 0.69   0.063% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  14.66 +/- 0.90   0.006% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  17.10 +/- 1.66   0.002% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.62 +/- 0.97   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 = 0.337, support = 0.0196, residual support = 0.0196:
          HB    VAL   41 - HB3   CYS   21  10.32 +/- 1.59  29.761% *  9.0526% (0.44   0.02   0.02) =  43.915%  kept
          QB    LYS+  33 - HB3   CYS   21   9.09 +/- 0.81  55.726% *  4.7734% (0.23   0.02   0.02) =  43.359%  kept
          HG12  ILE  103 - HB3   CYS   21  15.94 +/- 1.75   2.083% * 11.2053% (0.55   0.02   0.02) =   3.805%  kept
          QB    LYS+  81 - HB3   CYS   21  14.92 +/- 2.63   5.516% *  3.1155% (0.15   0.02   0.02) =   2.801%  kept
          HB    ILE  103 - HB3   CYS   21  18.44 +/- 1.73   0.850% *  7.3624% (0.36   0.02   0.02) =   1.021%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.87 +/- 1.52   2.227% *  2.7693% (0.14   0.02   0.02) =   1.005%  kept
          QB    LYS+  66 - HB3   CYS   21  18.49 +/- 0.87   0.882% *  6.2738% (0.31   0.02   0.02) =   0.902%  kept
          HB3   PRO   52 - HB3   CYS   21  22.42 +/- 1.54   0.305% * 13.7167% (0.67   0.02   0.02) =   0.682%  kept
          HG3   PRO   68 - HB3   CYS   21  20.61 +/- 1.05   0.440% *  7.9226% (0.39   0.02   0.02) =   0.569%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.17 +/- 1.38   0.481% *  6.2738% (0.31   0.02   0.02) =   0.492%
          HG    LEU  123 - HB3   CYS   21  24.34 +/- 2.33   0.180% * 13.7167% (0.67   0.02   0.02) =   0.403%
          HG2   ARG+  54 - HB3   CYS   21  22.20 +/- 1.47   0.317% *  6.8115% (0.33   0.02   0.02) =   0.352%
          HG2   PRO   93 - HB3   CYS   21  19.66 +/- 1.60   0.689% *  3.1155% (0.15   0.02   0.02) =   0.350%
          HB3   GLN   90 - HB3   CYS   21  20.37 +/- 1.48   0.541% *  3.8908% (0.19   0.02   0.02) =   0.343%
    Distance limit 3.75 A violated in 20 structures by 4.48 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 = 2.75:
          QG2   THR   26 - HB3   CYS   21   2.32 +/- 0.32  99.899% * 95.4718% (0.60   2.00   2.75) =  99.999%  kept
          HB2   LYS+  74 - HB3   CYS   21   8.03 +/- 0.56   0.098% *  1.0982% (0.69   0.02   9.35) =   0.001%
          HB3   LEU   40 - HB3   CYS   21  15.29 +/- 1.37   0.002% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  18.31 +/- 1.58   0.001% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  22.66 +/- 1.92   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.67 +/- 1.16   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  23.04 +/- 1.81   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.18 +/- 0.99   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.549, support = 1.5, residual support = 8.26:
          QD1   LEU   73 - HB3   CYS   21   3.96 +/- 0.76  83.123% * 94.3053% (0.55   1.50   8.27) =  99.883%  kept
          QD2   LEU   80 - HB3   CYS   21   8.53 +/- 3.85   9.344% *  0.6456% (0.28   0.02   0.02) =   0.077%
          QD1   LEU   80 - HB3   CYS   21   9.42 +/- 4.08   5.160% *  0.3496% (0.15   0.02   0.02) =   0.023%
          QG2   VAL   41 - HB3   CYS   21   7.57 +/- 1.00   1.789% *  0.5894% (0.26   0.02   0.02) =   0.013%
          QD2   LEU   98 - HB3   CYS   21   9.86 +/- 1.42   0.458% *  0.3496% (0.15   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB3   CYS   21  13.87 +/- 1.35   0.057% *  1.2574% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  14.47 +/- 1.18   0.041% *  1.4496% (0.63   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   CYS   21  16.14 +/- 0.99   0.020% *  0.3496% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.72 +/- 1.42   0.008% *  0.7040% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 4 structures by 0.34 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.36, residual support = 28.3:
      O   HN    CYS   21 - HB3   CYS   21   3.57 +/- 0.11  99.709% * 99.8294% (0.65  10.0   3.36  28.33) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21   9.81 +/- 0.65   0.256% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  14.57 +/- 0.99   0.024% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  17.39 +/- 1.61   0.009% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.76 +/- 1.08   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.75, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   2.46 +/- 0.27  99.986% * 88.5684% (0.52   0.75   1.50) = 100.000%  kept
          HD1   TRP   87 - HB3   CYS   21  15.34 +/- 2.04   0.004% *  2.8536% (0.63   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   CYS   21  14.87 +/- 1.16   0.003% *  2.9242% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   CYS   21  14.05 +/- 0.83   0.003% *  1.7501% (0.39   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  17.43 +/- 1.51   0.001% *  1.1602% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  17.35 +/- 0.91   0.001% *  1.0544% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  18.58 +/- 1.45   0.001% *  1.2708% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  18.97 +/- 2.78   0.001% *  0.4184% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.457, support = 2.79, residual support = 4.97:
          HN    THR   23 - HB3   CYS   21   4.09 +/- 0.48  85.801% * 22.9303% (0.36   2.13   4.59) =  64.886%  kept
          HD2   HIS   22 - HB3   CYS   21   5.76 +/- 0.36  14.043% * 75.8185% (0.63   4.01   5.69) =  35.113%  kept
          HD21  ASN   35 - HB3   CYS   21  14.42 +/- 1.34   0.072% *  0.2155% (0.36   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   CYS   21  14.15 +/- 0.86   0.060% *  0.1994% (0.33   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  18.09 +/- 1.00   0.015% *  0.3673% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  20.93 +/- 1.72   0.006% *  0.4059% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  22.70 +/- 0.74   0.003% *  0.0632% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.54, residual support = 28.3:
      O T HA    CYS   21 - HB3   CYS   21   2.53 +/- 0.14  99.998% * 99.6850% (0.63  10.0 10.00   2.54  28.33) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.37 +/- 1.68   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.23 +/- 1.23   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  21.56 +/- 1.24   0.000% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.08 +/- 2.28   0.000% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.729, support = 2.54, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.39 +/- 0.53  81.886% * 86.9733% (0.74  10.0   2.46  34.49) =  96.864%  kept
          HN    THR   23 - HB2   HIS   22   4.51 +/- 0.04  18.100% * 12.7389% (0.42   1.0   5.14  21.17) =   3.136%  kept
          HD1   TRP   49 - HB2   HIS   22  20.77 +/- 2.87   0.004% *  0.0934% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  17.86 +/- 1.06   0.006% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  19.44 +/- 1.97   0.003% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  22.43 +/- 0.91   0.001% *  0.0845% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  24.92 +/- 1.42   0.001% *  0.0145% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 3.11, residual support = 34.3:
      O   HD2   HIS   22 - HB3   HIS   22   3.46 +/- 0.52  78.660% * 94.7289% (0.95  10.0   3.07  34.49) =  98.580%  kept
          HN    THR   23 - HB3   HIS   22   4.43 +/- 0.05  21.329% *  5.0308% (0.18   1.0   5.74  21.17) =   1.420%  kept
          HD21  ASN   35 - HB3   HIS   22  19.41 +/- 1.42   0.003% *  0.0924% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  21.05 +/- 2.20   0.002% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  18.06 +/- 1.03   0.004% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  22.53 +/- 0.78   0.001% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.31, residual support = 21.2:
          QG2   THR   23 - HB3   HIS   22   3.58 +/- 0.45  99.882% * 95.9667% (0.34   3.31  21.17) =  99.998%  kept
          QG2   THR   77 - HB3   HIS   22  12.05 +/- 1.25   0.106% *  1.6863% (0.99   0.02   0.02) =   0.002%
          QB    ALA   88 - HB3   HIS   22  18.46 +/- 1.79   0.007% *  1.2354% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  23.08 +/- 2.58   0.003% *  0.6385% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  23.95 +/- 1.21   0.002% *  0.4730% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.83 +/- 0.41  98.352% * 98.4512% (0.38   3.20  12.68) =  99.974%  kept
          QD    PHE   95 - HB    THR   46   8.80 +/- 1.42   1.648% *  1.5488% (0.95   0.02   0.02) =   0.026%
    Distance limit 4.11 A violated in 0 structures by 0.02 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   3.00 +/- 0.29  95.334% * 99.6646% (0.87  10.0   3.25  34.52) =  99.996%  kept
          HN    MET   92 - HB    THR   46   8.22 +/- 2.15   4.456% *  0.0789% (0.69   1.0   0.02   0.02) =   0.004%
          HN    LYS+  74 - HB    THR   46   8.80 +/- 1.39   0.204% *  0.1126% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  16.10 +/- 1.21   0.005% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.56 +/- 2.61   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.47, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  11.84 +/- 1.47  29.981% * 12.9434% (0.64  1.00   0.02   0.02) =  50.409%  kept
          HB3   LEU   80 - HB2   HIS   22  11.05 +/- 2.23  49.143% *  4.0306% (0.20  1.00   0.02   0.02) =  25.731%  kept
          HB2   LEU   31 - HB2   HIS   22  13.94 +/- 1.45  15.990% *  6.0667% (0.30  1.00   0.02   0.02) =  12.601%  kept
          QB    ALA   88 - HB2   HIS   22  18.27 +/- 1.93   2.208% * 16.1643% (0.80  1.00   0.02   0.02) =   4.636%  kept
        T HB2   LEU   63 - HB2   HIS   22  20.63 +/- 1.24   1.131% * 28.3087% (0.14 10.00   0.02   0.02) =   4.159%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.09 +/- 2.55   0.862% * 13.5016% (0.67  1.00   0.02   0.02) =   1.511%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.89 +/- 1.48   0.528% * 11.7377% (0.58  1.00   0.02   0.02) =   0.806%  kept
          HG2   LYS+ 111 - HB2   HIS   22  28.67 +/- 1.76   0.158% *  7.2470% (0.36  1.00   0.02   0.02) =   0.149%
    Distance limit 3.90 A violated in 20 structures by 5.58 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 15.2:
      O   HN    CYS   21 - HA    ALA   20   2.23 +/- 0.01  99.997% * 99.8294% (0.95  10.0   2.95  15.17) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.67 +/- 0.46   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.12 +/- 1.37   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.22 +/- 0.78   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  21.10 +/- 1.04   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   8.68 +/- 0.72 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.17 A violated in 20 structures by 5.51 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   5.27 +/- 1.53  98.727% * 18.5628% (0.57   0.02   0.02) =  98.753%  kept
          HB3   PHE   45 - HA    HIS   22  13.17 +/- 1.33   0.830% * 13.7211% (0.42   0.02   0.02) =   0.614%  kept
          QG    GLN   32 - HA    HIS   22  15.29 +/- 0.89   0.362% * 27.4474% (0.85   0.02   0.02) =   0.535%  kept
          HB    VAL  107 - HA    HIS   22  21.01 +/- 1.00   0.055% * 26.5475% (0.82   0.02   0.02) =   0.078%
          QE    LYS+ 112 - HA    HIS   22  24.92 +/- 2.02   0.026% * 13.7211% (0.42   0.02   0.02) =   0.020%
    Distance limit 3.27 A violated in 17 structures by 2.06 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.308, support = 0.0198, residual support = 0.0198:
        T HB2   LEU   73 - HA    HIS   22   8.90 +/- 0.97  50.616% * 28.4146% (0.26 10.00   0.02   0.02) =  85.861%  kept
          HB    VAL   83 - HA    HIS   22  10.91 +/- 1.89  20.909% *  8.1833% (0.76  1.00   0.02   0.02) =  10.215%  kept
          HD2   LYS+  74 - HA    HIS   22   9.97 +/- 0.85  25.547% *  1.7898% (0.17  1.00   0.02   0.02) =   2.730%  kept
          QD    LYS+  38 - HA    HIS   22  21.74 +/- 2.71   0.545% *  9.4340% (0.87  1.00   0.02   0.02) =   0.307%
          HG3   PRO   93 - HA    HIS   22  19.84 +/- 2.53   0.598% *  8.5362% (0.79  1.00   0.02   0.02) =   0.305%
          QD    LYS+  65 - HA    HIS   22  18.92 +/- 1.84   0.566% *  7.4210% (0.69  1.00   0.02   0.02) =   0.251%
          HB3   MET   92 - HA    HIS   22  19.40 +/- 1.76   0.493% *  4.2014% (0.39  1.00   0.02   0.02) =   0.124%
          QD    LYS+ 102 - HA    HIS   22  23.24 +/- 1.65   0.167% *  9.8627% (0.91  1.00   0.02   0.02) =   0.098%
          QD    LYS+ 106 - HA    HIS   22  20.39 +/- 1.63   0.374% *  1.5768% (0.15  1.00   0.02   0.02) =   0.035%
          HB2   LYS+ 121 - HA    HIS   22  25.88 +/- 0.99   0.079% *  7.0200% (0.65  1.00   0.02   0.02) =   0.033%
          HB2   LEU  123 - HA    HIS   22  28.22 +/- 1.36   0.048% *  8.1833% (0.76  1.00   0.02   0.02) =   0.024%
          HD2   LYS+ 111 - HA    HIS   22  27.95 +/- 1.82   0.058% *  5.3768% (0.50  1.00   0.02   0.02) =   0.018%
    Distance limit 3.43 A violated in 20 structures by 4.38 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.387, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.40 +/- 0.19  97.583% * 67.5049% (0.39   0.02   0.02) =  98.822%  kept
          HN    LEU   40 - HA    HIS   22  19.35 +/- 0.72   2.417% * 32.4951% (0.19   0.02   0.02) =   1.178%  kept
    Distance limit 3.56 A violated in 20 structures by 6.79 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 = 5.31, residual support = 24.8:
      O   HN    VAL   24 - HA    THR   23   2.55 +/- 0.14 100.000% *100.0000% (0.64  10.0   5.31  24.81) = 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 = 5.35, residual support = 24.8:
          HN    VAL   24 - HB    THR   23   3.33 +/- 0.65 100.000% *100.0000% (0.49   5.35  24.81) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.57, residual support = 18.8:
          HN    THR   23 - QG2   THR   23   3.20 +/- 0.60  73.716% * 61.9852% (0.73   4.61  18.75) =  98.394%  kept
          HD2   HIS   22 - QG2   THR   23   6.02 +/- 0.20   2.039% * 36.1520% (0.76   2.55  21.17) =   1.587%  kept
          HD1   TRP   49 - QB    ALA   91   6.12 +/- 2.84  15.283% *  0.0350% (0.09   0.02   0.02) =   0.012%
          HE3   TRP   27 - QG2   THR   23   6.10 +/- 0.63   3.116% *  0.0825% (0.22   0.02   0.82) =   0.006%
          QD    PHE   55 - QB    ALA   91   9.83 +/- 2.35   4.808% *  0.0108% (0.03   0.02   0.02) =   0.001%
          HN    LEU   67 - QG2   THR   39   9.31 +/- 0.83   0.189% *  0.0818% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.43 +/- 1.55   0.433% *  0.0282% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.87 +/- 1.70   0.233% *  0.0268% (0.07   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.43 +/- 0.89   0.013% *  0.2546% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  16.16 +/- 1.57   0.007% *  0.3325% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  11.93 +/- 1.74   0.036% *  0.0567% (0.15   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.67 +/- 0.93   0.008% *  0.1264% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  14.34 +/- 1.38   0.015% *  0.0631% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  14.66 +/- 1.09   0.013% *  0.0599% (0.16   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.58 +/- 0.78   0.002% *  0.3674% (0.99   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  12.83 +/- 1.36   0.034% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  13.82 +/- 1.40   0.016% *  0.0283% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  12.77 +/- 1.32   0.029% *  0.0087% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.17 +/- 0.74   0.002% *  0.1031% (0.28   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  17.86 +/- 2.19   0.004% *  0.0298% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.40 +/- 1.34   0.002% *  0.0386% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.06 +/- 0.89   0.002% *  0.0229% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.47 +/- 1.46   0.000% *  0.0740% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.35 +/- 1.85   0.001% *  0.0133% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.84, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   3.03 +/- 0.74  99.955% * 91.4936% (0.34   1.84  10.83) =  99.999%  kept
          HG3   MET   96 - HA    VAL   83  15.07 +/- 2.91   0.034% *  2.9232% (1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    VAL   83  17.22 +/- 2.60   0.009% *  0.6508% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  24.74 +/- 1.40   0.001% *  2.2340% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  27.05 +/- 2.93   0.001% *  2.6984% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.59 +/- 0.65  99.146% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASP-  78 - HA    VAL   83  10.99 +/- 1.68   0.833% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    VAL   83  13.61 +/- 2.93   0.019% *  0.0912% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  20.37 +/- 1.99   0.001% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  22.73 +/- 3.01   0.001% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  23.64 +/- 1.16   0.000% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.4:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.02  99.988% * 99.7575% (0.57  10.0   4.70  87.35) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  15.72 +/- 1.67   0.005% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  14.93 +/- 1.76   0.007% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   3.29 +/- 0.10  99.972% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  16.20 +/- 2.53   0.010% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  15.10 +/- 2.59   0.016% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  21.72 +/- 3.16   0.002% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  24.63 +/- 3.16   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  29.39 +/- 2.08   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 4.16, residual support = 13.6:
          HD1   TRP   87 - HA    VAL   83   4.17 +/- 0.94  96.632% * 97.5809% (0.73   4.16  13.56) =  99.991%  kept
          HE3   TRP   87 - HA    VAL   83   7.76 +/- 0.99   2.511% *  0.1798% (0.28   0.02  13.56) =   0.005%
          HN    TRP   27 - HA    VAL   83  12.50 +/- 2.12   0.386% *  0.6118% (0.95   0.02   0.66) =   0.003%
          HN    ALA   91 - HA    VAL   83  11.24 +/- 0.54   0.431% *  0.4184% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HA    VAL   83  21.56 +/- 0.98   0.012% *  0.3662% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   83  25.11 +/- 2.45   0.006% *  0.4943% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  22.33 +/- 3.32   0.014% *  0.1280% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  24.33 +/- 2.73   0.008% *  0.2206% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 7 structures by 0.58 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.589, support = 1.42, residual support = 3.87:
          QD2   LEU   80 - HA    VAL   24   6.83 +/- 4.91  48.202% * 39.9218% (0.41   1.79   6.38) =  50.306%  kept
          QD1   LEU   73 - HA    VAL   24   4.91 +/- 0.69  38.715% * 46.3975% (0.80   1.07   1.04) =  46.959%  kept
          QD1   LEU   80 - HA    VAL   24   7.76 +/- 4.69   9.925% * 10.4268% (0.22   0.86   6.38) =   2.705%  kept
          QG2   VAL   41 - HA    VAL   24   7.84 +/- 0.72   2.019% *  0.4081% (0.38   0.02   0.02) =   0.022%
          QD2   LEU   98 - HA    VAL   24   8.68 +/- 1.46   1.032% *  0.2421% (0.22   0.02   0.02) =   0.007%
          QD1   LEU   63 - HA    VAL   24  14.30 +/- 1.38   0.045% *  0.8706% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    VAL   24  15.17 +/- 1.00   0.035% *  1.0037% (0.92   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   24  16.04 +/- 1.05   0.019% *  0.2421% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  18.53 +/- 1.31   0.008% *  0.4875% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 7 structures by 0.56 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 65.6:
      O T HB    VAL   24 - HA    VAL   24   2.64 +/- 0.13  99.971% * 98.9275% (1.00  10.0 10.00   3.82  65.60) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.50 +/- 0.28   0.027% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  22.58 +/- 1.01   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  18.36 +/- 1.36   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.77 +/- 2.11   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.61 +/- 0.90   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 = 3.75, residual support = 28.4:
        T HB3   TRP   27 - HA    VAL   24   3.38 +/- 0.21  99.953% * 99.7179% (1.00 10.00   3.75  28.38) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  16.05 +/- 1.00   0.010% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  15.87 +/- 2.07   0.014% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  15.84 +/- 1.00   0.010% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  17.03 +/- 0.99   0.007% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.05 +/- 2.00   0.005% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.7, residual support = 65.6:
      O   HN    VAL   24 - HA    VAL   24   2.77 +/- 0.03 100.000% *100.0000% (0.97  10.0   4.70  65.60) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.72, residual support = 29.7:
      O   HN    GLU-  25 - HA    VAL   24   3.57 +/- 0.02  42.101% * 85.3720% (0.92  10.0   5.66  33.47) =  81.085%  kept
          HN    ASN   28 - HA    VAL   24   3.39 +/- 0.27  57.661% * 14.5405% (0.53   1.0   5.98  13.57) =  18.914%  kept
          HN    ASP-  44 - HA    VAL   24   8.74 +/- 0.88   0.238% *  0.0875% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.48, residual support = 28.4:
          HN    TRP   27 - HA    VAL   24   3.05 +/- 0.10  99.881% * 95.3105% (0.45   3.48  28.38) =  99.999%  kept
          HD1   TRP   87 - HA    VAL   24  11.71 +/- 2.21   0.097% *  1.2116% (0.99   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   24  15.48 +/- 0.47   0.006% *  1.0604% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  16.63 +/- 0.88   0.004% *  1.1983% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  16.57 +/- 1.58   0.005% *  0.8397% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.18 +/- 1.68   0.005% *  0.2141% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  18.59 +/- 0.93   0.002% *  0.1654% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.2, residual support = 65.6:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.983% * 98.9402% (0.98  10.0 10.00   3.20  65.60) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.25 +/- 0.52   0.005% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.32 +/- 0.26   0.008% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  20.52 +/- 1.37   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.92 +/- 2.24   0.002% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.67 +/- 1.77   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.39 +/- 1.30   0.001% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.46 +/- 1.19   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.67 +/- 1.35   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.64 +/- 1.83   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  24.68 +/- 2.89   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  26.71 +/- 1.59   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.35, residual support = 65.6:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.993% * 99.6470% (1.00  10.0   3.35  65.60) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.26 +/- 1.64   0.005% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  19.98 +/- 1.44   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.67 +/- 1.77   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.39 +/- 1.30   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  20.94 +/- 1.12   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  25.47 +/- 1.91   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  24.26 +/- 2.57   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.766, support = 1.63, residual support = 4.59:
          QD2   LEU   80 - HB    VAL   24   6.13 +/- 5.05  49.850% * 44.7728% (0.80   1.79   6.38) =  66.732%  kept
          QG1   VAL   83 - HB    VAL   24   4.93 +/- 2.51  20.916% * 33.4359% (0.87   1.23   0.95) =  20.909%  kept
          QD1   LEU   73 - HB    VAL   24   6.81 +/- 0.91  22.085% * 18.6402% (0.41   1.45   1.04) =  12.308%  kept
          QD1   LEU  104 - HB2   PRO   68  11.83 +/- 2.79   2.707% *  0.3574% (0.57   0.02   0.02) =   0.029%
          QG2   ILE   89 - HB    VAL   24   9.09 +/- 1.40   2.682% *  0.1561% (0.25   0.02   0.02) =   0.013%
          QD1   LEU   63 - HB2   PRO   68  11.17 +/- 1.51   1.373% *  0.1522% (0.24   0.02   0.02) =   0.006%
          QD1   LEU  104 - HB    VAL   24  17.17 +/- 1.34   0.046% *  0.6042% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   PRO   68  15.29 +/- 2.22   0.082% *  0.2830% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB2   PRO   68  13.99 +/- 0.56   0.152% *  0.1522% (0.24   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB    VAL   24  15.24 +/- 1.46   0.067% *  0.2574% (0.41   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB    VAL   24  18.99 +/- 1.46   0.024% *  0.4784% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  22.92 +/- 1.56   0.005% *  0.3212% (0.51   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  22.64 +/- 2.73   0.004% *  0.2965% (0.47   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  22.64 +/- 0.99   0.008% *  0.0923% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 6 structures by 0.60 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.84, residual support = 65.3:
      O T HA    VAL   24 - HB    VAL   24   2.64 +/- 0.13  90.962% * 89.0301% (0.90  10.0 10.00   3.82  65.60) =  98.866%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.10   9.034% * 10.2842% (0.10  10.0  1.00   5.38  34.95) =   1.134%  kept
          HA    LYS+  38 - HB2   PRO   68  15.02 +/- 1.59   0.004% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.58 +/- 1.01   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.49 +/- 0.95   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.34 +/- 1.46   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.2, residual support = 65.6:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  99.985% * 98.6521% (0.92  10.0 10.00   3.20  65.60) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.50 +/- 0.58   0.013% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  20.52 +/- 1.37   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  16.04 +/- 1.37   0.001% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  17.31 +/- 1.91   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.44 +/- 1.19   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.61 +/- 1.45   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  25.99 +/- 2.21   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.315, support = 5.75, residual support = 32.2:
      O   HN    ASN   69 - HB2   PRO   68   3.30 +/- 0.82  61.465% * 43.7162% (0.20  10.0   5.85  32.53) =  68.646%  kept
          HN    GLU-  25 - HB    VAL   24   3.69 +/- 0.23  33.115% * 33.5563% (0.53   1.0   5.89  33.47) =  28.388%  kept
          HN    ASN   28 - HB    VAL   24   5.38 +/- 0.45   5.211% * 22.2726% (0.92   1.0   2.23  13.57) =   2.965%  kept
          HN    ASP-  44 - HB    VAL   24   9.79 +/- 1.21   0.204% *  0.1227% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB2   PRO   68  17.19 +/- 0.85   0.004% *  0.0726% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.09 +/- 0.90   0.001% *  0.1183% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  22.76 +/- 0.90   0.001% *  0.0739% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.34 +/- 0.99   0.000% *  0.0674% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.63, residual support = 65.6:
      O   HN    VAL   24 - HB    VAL   24   2.19 +/- 0.32 100.000% * 99.9409% (0.38  10.0   4.63  65.60) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.62 +/- 1.12   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.05, residual support = 65.6:
          HN    VAL   24 - QG1   VAL   24   2.89 +/- 0.56 100.000% *100.0000% (0.73   4.05  65.60) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.05, residual support = 127.5:
      O   HN    GLU-  25 - HB2   GLU-  25   2.77 +/- 0.39  98.073% * 99.5455% (0.41  10.0   6.05 127.47) =  99.995%  kept
          HN    ASN   28 - HB2   GLU-  25   5.61 +/- 0.12   1.919% *  0.2373% (0.98   1.0   0.02   2.68) =   0.005%
          HN    ASP-  44 - HB2   GLU-  25  14.00 +/- 1.04   0.007% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.27 +/- 0.49   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.82, residual support = 127.5:
      O   HN    GLU-  25 - HB3   GLU-  25   2.64 +/- 0.71  97.898% * 99.5455% (0.41  10.0   5.82 127.47) =  99.995%  kept
          HN    ASN   28 - HB3   GLU-  25   5.79 +/- 0.13   2.093% *  0.2373% (0.98   1.0   0.02   2.68) =   0.005%
          HN    ASP-  44 - HB3   GLU-  25  14.28 +/- 0.93   0.009% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.83 +/- 0.47   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.27, residual support = 29.3:
          HN    THR   26 - HB3   GLU-  25   3.31 +/- 0.15  99.997% * 98.7479% (0.34   5.27  29.28) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.94 +/- 0.73   0.003% *  0.8397% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  30.34 +/- 1.56   0.000% *  0.4124% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.0, residual support = 2.0:
          HN    SER   85 - HA    SER   82   3.40 +/- 0.12  98.456% * 88.7687% (0.26   2.00   2.00) =  99.984%  kept
          HN    GLN   32 - HA    GLU-  25   9.39 +/- 0.45   0.237% *  3.4222% (1.00   0.02   0.02) =   0.009%
          HN    LEU   80 - HA    SER   82   7.38 +/- 0.54   1.173% *  0.3422% (0.10   0.02   0.22) =   0.005%
          HN    LEU   80 - HA    GLU-  25  12.37 +/- 2.40   0.068% *  1.0563% (0.31   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.53 +/- 0.65   0.042% *  1.4069% (0.41   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  15.21 +/- 2.77   0.018% *  2.7403% (0.80   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  21.77 +/- 3.62   0.002% *  1.1086% (0.32   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.91 +/- 1.34   0.003% *  0.1710% (0.05   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  24.19 +/- 3.09   0.001% *  0.4558% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.16 +/- 0.97   0.001% *  0.5280% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.437, support = 5.69, residual support = 121.7:
      O   HN    GLU-  25 - HA    GLU-  25   2.70 +/- 0.02  88.073% * 73.3564% (0.41  10.0   5.82 127.47) =  95.376%  kept
          HN    ASN   28 - HA    GLU-  25   3.79 +/- 0.15  11.887% * 26.3513% (0.98   1.0   3.01   2.68) =   4.624%  kept
          HN    GLU-  25 - HA    SER   82  11.80 +/- 2.99   0.027% *  0.0238% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  13.43 +/- 0.77   0.006% *  0.0800% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  15.32 +/- 3.35   0.005% *  0.0567% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  17.08 +/- 1.52   0.002% *  0.0259% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.69 +/- 0.53   0.000% *  0.0800% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  31.58 +/- 1.60   0.000% *  0.0259% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.312, support = 3.38, residual support = 6.19:
          HN    ALA   84 - HA    SER   82   4.10 +/- 0.09  68.982% * 48.7900% (0.20   4.22   7.56) =  71.775%  kept
          HD21  ASN   28 - HA    GLU-  25   4.74 +/- 0.12  29.197% * 45.3089% (0.61   1.27   2.68) =  28.211%  kept
          HZ2   TRP   87 - HA    GLU-  25  12.98 +/- 3.80   0.939% *  0.4843% (0.41   0.02   0.02) =   0.010%
          HZ2   TRP   87 - HA    SER   82   9.54 +/- 1.40   0.583% *  0.1569% (0.13   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  13.62 +/- 2.60   0.075% *  0.7145% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  12.58 +/- 1.67   0.155% *  0.2623% (0.22   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  15.07 +/- 3.80   0.058% *  0.2314% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    GLU-  25  23.51 +/- 0.85   0.002% *  1.1675% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  25.62 +/- 0.74   0.001% *  1.1143% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.40 +/- 1.08   0.002% *  0.3610% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  26.39 +/- 1.55   0.001% *  0.7145% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  24.27 +/- 1.91   0.002% *  0.2314% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  26.60 +/- 1.38   0.001% *  0.3782% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  25.28 +/- 4.65   0.002% *  0.0850% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.981, support = 0.75, residual support = 2.65:
          HB2   ASN   28 - HA    GLU-  25   3.32 +/- 0.27  93.487% * 72.2568% (0.99   0.75   2.68) =  98.620%  kept
          HB2   ASP-  86 - HA    SER   82   5.65 +/- 0.86   5.406% * 17.3786% (0.24   0.76   0.02) =   1.372%  kept
          HB2   ASP-  78 - HA    SER   82  10.87 +/- 1.48   0.889% *  0.3820% (0.20   0.02   0.02) =   0.005%
          QE    LYS+  33 - HA    GLU-  25  11.56 +/- 1.35   0.065% *  1.9397% (1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HA    GLU-  25  13.59 +/- 2.41   0.033% *  1.4117% (0.73   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    GLU-  25  14.44 +/- 1.07   0.015% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.22 +/- 1.18   0.026% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.64 +/- 1.77   0.007% *  1.1791% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  16.01 +/- 3.74   0.013% *  0.6242% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.77 +/- 0.59   0.054% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.32 +/- 1.64   0.001% *  1.7946% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  22.66 +/- 2.58   0.001% *  0.6284% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.21 +/- 1.32   0.000% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  23.51 +/- 0.99   0.001% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  26.17 +/- 3.58   0.000% *  0.2364% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  32.52 +/- 2.09   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.295, support = 0.0198, residual support = 5.68:
          QB    ALA   84 - HA    SER   82   4.70 +/- 0.15  62.753% *  2.6264% (0.32   0.02   7.56) =  74.464%  kept
          HB3   LEU   80 - HA    SER   82   5.29 +/- 0.45  33.430% *  1.2898% (0.16   0.02   0.22) =  19.481%  kept
          HB2   LEU   31 - HA    GLU-  25   8.69 +/- 0.36   1.600% *  2.7903% (0.34   0.02   0.02) =   2.017%  kept
          HB3   LEU   80 - HA    GLU-  25  11.22 +/- 3.53   1.023% *  3.9817% (0.49   0.02   0.02) =   1.840%  kept
          HB3   LEU   73 - HA    GLU-  25  10.78 +/- 0.80   0.462% *  3.3630% (0.41   0.02   0.02) =   0.702%  kept
          QB    ALA   84 - HA    GLU-  25  13.14 +/- 2.13   0.182% *  8.1077% (0.99   0.02   0.02) =   0.666%  kept
          HG3   LYS+  33 - HA    GLU-  25  12.88 +/- 2.06   0.256% *  2.2744% (0.28   0.02   0.02) =   0.263%
          HG    LEU   98 - HA    GLU-  25  15.08 +/- 1.32   0.067% *  7.7381% (0.95   0.02   0.02) =   0.233%
          HB3   ASP-  44 - HA    GLU-  25  16.23 +/- 1.54   0.047% *  5.9400% (0.73   0.02   0.02) =   0.126%
          HB    VAL   42 - HA    GLU-  25  16.76 +/- 0.63   0.031% *  2.7903% (0.34   0.02   0.02) =   0.039%
          HB3   PRO   93 - HA    GLU-  25  21.49 +/- 1.48   0.008% *  8.1620% (1.00   0.02   0.02) =   0.028%
          HG3   LYS+ 106 - HA    GLU-  25  20.70 +/- 1.43   0.010% *  5.2918% (0.65   0.02   0.02) =   0.023%
          HB3   ASP-  44 - HA    SER   82  18.33 +/- 1.38   0.020% *  1.9242% (0.24   0.02   0.02) =   0.017%
          HG3   LYS+ 102 - HA    GLU-  25  21.00 +/- 1.94   0.010% *  3.6674% (0.45   0.02   0.02) =   0.016%
          HB2   LEU   63 - HA    GLU-  25  21.88 +/- 1.01   0.006% *  4.9615% (0.61   0.02   0.02) =   0.014%
          HB3   PRO   93 - HA    SER   82  19.74 +/- 0.90   0.012% *  2.6440% (0.32   0.02   0.02) =   0.014%
          HB3   LEU   73 - HA    SER   82  17.73 +/- 1.70   0.026% *  1.0894% (0.13   0.02   0.02) =   0.013%
          HG    LEU   98 - HA    SER   82  21.92 +/- 3.67   0.010% *  2.5067% (0.31   0.02   0.02) =   0.012%
          HB2   LEU   31 - HA    SER   82  20.08 +/- 3.64   0.017% *  0.9039% (0.11   0.02   0.02) =   0.007%
          QB    ALA  124 - HA    GLU-  25  27.52 +/- 1.46   0.002% *  7.0957% (0.87   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HA    SER   82  23.55 +/- 2.89   0.005% *  1.7142% (0.21   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HA    GLU-  25  25.25 +/- 1.33   0.003% *  2.7903% (0.34   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  22.74 +/- 1.62   0.005% *  0.9039% (0.11   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    SER   82  25.32 +/- 1.75   0.003% *  1.6072% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    GLU-  25  27.85 +/- 1.83   0.002% *  2.2744% (0.28   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    GLU-  25  31.15 +/- 1.27   0.001% *  4.3037% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    SER   82  25.10 +/- 3.64   0.004% *  0.7368% (0.09   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    SER   82  25.13 +/- 2.60   0.003% *  0.7368% (0.09   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    SER   82  28.40 +/- 4.03   0.002% *  1.1880% (0.15   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    SER   82  31.24 +/- 2.00   0.001% *  2.2986% (0.28   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    SER   82  29.22 +/- 2.11   0.001% *  1.3942% (0.17   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    SER   82  29.05 +/- 1.16   0.001% *  0.9039% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 4 structures by 0.82 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.691, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - HA    GLU-  25  17.64 +/- 1.53  27.909% * 22.9376% (0.92   0.02   0.02) =  49.912%  kept
          QG2   VAL  108 - HA    SER   82  17.20 +/- 2.57  35.963% *  7.4304% (0.30   0.02   0.02) =  20.835%  kept
          HB2   LEU  104 - HA    GLU-  25  21.70 +/- 1.32   8.633% * 19.8967% (0.80   0.02   0.02) =  13.393%  kept
          QD1   ILE  119 - HA    GLU-  25  21.82 +/- 1.52   8.700% * 12.0948% (0.49   0.02   0.02) =   8.204%  kept
          HG    LEU   63 - HA    GLU-  25  23.21 +/- 1.27   5.636% *  5.5320% (0.22   0.02   0.02) =   2.431%  kept
          QD1   ILE  119 - HA    SER   82  23.44 +/- 1.33   5.146% *  3.9180% (0.16   0.02   0.02) =   1.572%  kept
          HG3   LYS+ 112 - HA    GLU-  25  30.16 +/- 1.72   1.181% * 15.0711% (0.61   0.02   0.02) =   1.388%  kept
          HB2   LEU  104 - HA    SER   82  27.32 +/- 2.95   2.273% *  6.4453% (0.26   0.02   0.02) =   1.142%  kept
          HG3   LYS+ 112 - HA    SER   82  27.94 +/- 2.61   2.019% *  4.8821% (0.20   0.02   0.02) =   0.769%  kept
          HG    LEU   63 - HA    SER   82  26.59 +/- 2.06   2.540% *  1.7920% (0.07   0.02   0.02) =   0.355%
    Distance limit 3.88 A violated in 20 structures by 10.26 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.264, support = 2.46, residual support = 14.8:
          HB2   GLU-  29 - HA    THR   26   2.91 +/- 0.50  86.289% * 13.6001% (0.22   0.95   1.23) =  51.590%  kept
          HB2   GLU-  25 - HA    THR   26   4.23 +/- 0.37  13.684% * 80.4705% (0.31   4.07  29.28) =  48.408%  kept
          HB3   ASP-  76 - HA    THR   26  13.44 +/- 0.76   0.011% *  1.1478% (0.90   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    THR   26  15.36 +/- 0.68   0.005% *  1.1478% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  15.36 +/- 1.51   0.007% *  0.5261% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.35 +/- 1.23   0.001% *  1.2106% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.33 +/- 0.68   0.002% *  0.6230% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.53 +/- 1.02   0.000% *  0.8791% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  23.50 +/- 1.83   0.000% *  0.3950% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.77, residual support = 35.8:
      O   HN    THR   26 - HA    THR   26   2.86 +/- 0.02  99.995% * 99.6670% (0.34  10.0   4.77  35.81) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.27 +/- 0.82   0.005% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.82 +/- 1.22   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.445, support = 1.21, residual support = 2.82:
          HN    GLU-  29 - HA    THR   26   3.41 +/- 0.14  84.172% * 16.0729% (0.22   0.94   1.23) =  52.045%  kept
          HN    GLN   30 - HA    THR   26   4.59 +/- 0.36  15.813% * 78.8333% (0.69   1.50   4.54) =  47.954%  kept
          HN    GLU-  14 - HA    THR   26  17.95 +/- 1.70   0.005% *  1.5044% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.35 +/- 1.28   0.004% *  1.2820% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  17.96 +/- 2.08   0.005% *  0.9309% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.94 +/- 2.36   0.001% *  1.3765% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 1.93, residual support = 9.74:
          HN    THR   23 - HB    THR   26   3.83 +/- 0.10  52.174% * 70.9985% (0.38   2.44  12.83) =  75.844%  kept
          HD2   HIS   22 - HB    THR   26   4.23 +/- 1.26  47.803% * 24.6800% (0.99   0.32   0.02) =  24.156%  kept
          HD21  ASN   35 - HB    THR   26  15.87 +/- 1.03   0.011% *  1.0665% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  16.58 +/- 0.70   0.008% *  0.5296% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  21.80 +/- 1.68   0.002% *  1.5388% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  20.74 +/- 0.81   0.002% *  1.1865% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.48, residual support = 22.6:
          HN    TRP   27 - HB    THR   26   3.04 +/- 0.12  99.973% * 98.0967% (0.84   4.48  22.62) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  16.04 +/- 2.41   0.009% *  0.4545% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  17.06 +/- 1.00   0.004% *  0.4699% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.50 +/- 0.57   0.006% *  0.2550% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.70 +/- 1.57   0.002% *  0.2550% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  19.59 +/- 3.28   0.004% *  0.0918% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.73 +/- 0.86   0.001% *  0.2154% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  19.82 +/- 1.39   0.001% *  0.1617% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.8:
      O   HN    THR   26 - HB    THR   26   2.11 +/- 0.06  99.999% * 99.9615% (0.80  10.0   4.16  35.81) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.24 +/- 0.69   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.179, support = 0.749, residual support = 2.73:
          HA    CYS   21 - QG2   THR   26   1.86 +/- 0.19  99.827% * 23.6969% (0.18   0.75   2.75) =  99.478%  kept
          HA    ALA   20 - QG2   THR   26   5.45 +/- 0.18   0.167% * 74.1287% (0.87   0.47   0.02) =   0.522%  kept
          HA    LEU   71 - QG2   THR   26  10.07 +/- 0.72   0.005% *  0.5567% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  16.94 +/- 1.20   0.000% *  1.6177% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.87, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.86 +/- 1.17  65.589% * 18.7520% (0.92   0.02   0.02) =  77.255%  kept
          HB2   PRO   93 - QG2   THR   26  17.01 +/- 1.68   9.837% * 12.3210% (0.61   0.02   0.02) =   7.613%  kept
          HG2   MET   11 - QG2   THR   26  19.15 +/- 2.52   4.816% * 19.2160% (0.95   0.02   0.02) =   5.813%  kept
          HG3   PRO   52 - QG2   THR   26  20.80 +/- 1.97   2.693% * 17.6208% (0.87   0.02   0.02) =   2.980%  kept
          HG2   PRO   58 - QG2   THR   26  21.13 +/- 0.74   2.209% * 17.6208% (0.87   0.02   0.02) =   2.445%  kept
          HB2   PRO   68 - QG2   THR   26  17.17 +/- 1.19   8.100% *  3.1343% (0.15   0.02   0.02) =   1.595%  kept
          HB    VAL  108 - QG2   THR   26  18.93 +/- 1.69   4.783% *  5.0653% (0.25   0.02   0.02) =   1.522%  kept
          HB2   ARG+  54 - QG2   THR   26  21.51 +/- 0.93   1.973% *  6.2698% (0.31   0.02   0.02) =   0.777%  kept
    Distance limit 3.38 A violated in 20 structures by 7.61 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 = 4.54:
        T HG2   GLN   30 - QG2   THR   26   3.39 +/- 0.44  98.776% * 99.5048% (0.99 10.00   0.75   4.54) =  99.997%  kept
          HB3   ASN   28 - QG2   THR   26   7.36 +/- 0.25   1.214% *  0.2584% (0.97  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 121 - QG2   THR   26  18.99 +/- 2.15   0.005% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.51 +/- 1.30   0.005% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.24, residual support = 23.4:
          QD1   LEU   73 - HB3   TRP   27   2.50 +/- 0.58  93.941% * 70.7917% (1.00   4.29  23.92) =  97.666%  kept
          QD2   LEU   80 - HB3   TRP   27   8.38 +/- 4.54   5.642% * 28.1704% (0.80   2.13   3.60) =   2.334%  kept
          QG1   VAL   83 - HB3   TRP   27   8.48 +/- 2.11   0.395% *  0.0578% (0.18   0.02   0.66) =   0.000%
          QD1   LEU   63 - HB3   TRP   27  12.55 +/- 1.35   0.010% *  0.3303% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.19 +/- 0.99   0.007% *  0.1870% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  14.52 +/- 0.97   0.004% *  0.1870% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  17.27 +/- 1.30   0.001% *  0.2759% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.75, residual support = 28.4:
        T HA    VAL   24 - HB3   TRP   27   3.38 +/- 0.21  99.907% * 98.5200% (0.76 10.00   3.75  28.38) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.31 +/- 0.89   0.013% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  14.87 +/- 1.37   0.017% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27  12.58 +/- 2.27   0.063% *  0.0174% (0.14  1.00   0.02   0.66) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.55, residual support = 28.4:
          HA    VAL   24 - HB2   TRP   27   1.84 +/- 0.11 100.000% * 99.3123% (0.97   3.55  28.38) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.07 +/- 0.73   0.000% *  0.4645% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  17.03 +/- 1.05   0.000% *  0.0785% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  19.86 +/- 1.30   0.000% *  0.1447% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.909, support = 3.83, residual support = 21.1:
          QD1   LEU   73 - HB2   TRP   27   3.66 +/- 0.54  72.758% * 66.4922% (0.90   4.15  23.92) =  85.895%  kept
          QD2   LEU   80 - HB2   TRP   27   7.80 +/- 4.75  24.591% * 32.2911% (0.98   1.85   3.60) =  14.099%  kept
          QG1   VAL   83 - HB2   TRP   27   7.68 +/- 2.21   2.582% *  0.1340% (0.38   0.02   0.66) =   0.006%
          QD1   LEU   63 - HB2   TRP   27  13.65 +/- 1.36   0.030% *  0.3202% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  15.27 +/- 0.96   0.014% *  0.2983% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  14.36 +/- 0.99   0.021% *  0.1102% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  18.18 +/- 1.30   0.005% *  0.3539% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.24, residual support = 18.2:
          QD1   LEU   31 - HA    ASN   28   3.08 +/- 0.48 100.000% *100.0000% (0.76   3.24  18.24) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.11, residual support = 92.2:
      O T HA    GLU-  29 - HG3   GLU-  29   3.55 +/- 0.14  99.602% * 97.0747% (0.22  10.0 10.00   5.11  92.22) =  99.995%  kept
        T HA    LYS+  33 - HG3   GLU-  29  10.04 +/- 1.08   0.320% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HB2   SER   37 - HG3   GLU-  29  14.92 +/- 1.78   0.032% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.17 +/- 1.49   0.008% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.03 +/- 1.26   0.016% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  16.27 +/- 3.45   0.019% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.63 +/- 1.86   0.004% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.29 +/- 1.66   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 108.5:
      O   HD1   TRP   27 - HB2   TRP   27   3.78 +/- 0.12  93.567% * 99.7286% (0.98  10.0   3.66 108.46) =  99.994%  kept
          HE21  GLN   30 - HB2   TRP   27   7.01 +/- 1.55   6.417% *  0.0939% (0.92   1.0   0.02   0.02) =   0.006%
          QD    PHE   59 - HB2   TRP   27  17.17 +/- 1.60   0.013% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  21.41 +/- 1.92   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.46, residual support = 108.5:
      O   HN    TRP   27 - HB2   TRP   27   2.09 +/- 0.05  99.992% * 99.5184% (0.76  10.0   5.46 108.46) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  13.12 +/- 2.13   0.003% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.09 +/- 0.88   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.10 +/- 0.42   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  15.84 +/- 1.46   0.001% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  17.13 +/- 1.59   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  16.40 +/- 2.90   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.86 +/- 0.86   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 52.9:
          HN    ASN   28 - HB2   TRP   27   2.86 +/- 0.10  94.442% * 99.5642% (0.92   5.59  52.86) =  99.996%  kept
          HN    GLU-  25 - HB2   TRP   27   4.63 +/- 0.09   5.339% *  0.0595% (0.15   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   TRP   27   8.23 +/- 0.82   0.217% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.05 +/- 0.60   0.001% *  0.3087% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.766, support = 4.48, residual support = 107.6:
      O   HE3   TRP   27 - HB3   TRP   27   3.17 +/- 0.24  94.237% * 87.2298% (0.76  10.0   4.50 108.46) =  99.201%  kept
          HN    THR   23 - HB3   TRP   27   5.19 +/- 0.38   5.328% * 12.4190% (0.98   1.0   2.22   0.82) =   0.798%  kept
          HD2   HIS   22 - HB3   TRP   27   8.03 +/- 0.27   0.401% *  0.0254% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.64 +/- 0.74   0.028% *  0.1131% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  17.35 +/- 0.72   0.004% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.43 +/- 0.66   0.001% *  0.0953% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.17 +/- 1.55   0.002% *  0.0389% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 108.4:
      O   HD1   TRP   27 - HB3   TRP   27   3.47 +/- 0.14  82.005% * 99.7286% (0.98  10.0   4.09 108.46) =  99.979%  kept
          HE21  GLN   30 - HB3   TRP   27   5.55 +/- 1.70  17.982% *  0.0939% (0.92   1.0   0.02   0.02) =   0.021%
          QD    PHE   59 - HB3   TRP   27  16.06 +/- 1.62   0.010% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  21.33 +/- 1.94   0.002% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 108.5:
      O   HN    TRP   27 - HB3   TRP   27   2.96 +/- 0.10  99.944% * 99.5184% (0.76  10.0   5.64 108.46) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  13.87 +/- 2.00   0.017% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  14.08 +/- 1.02   0.011% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  13.63 +/- 0.57   0.011% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  15.46 +/- 1.43   0.006% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.44 +/- 0.82   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  17.22 +/- 1.46   0.003% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  17.36 +/- 2.66   0.005% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 52.9:
          HN    ASN   28 - HB3   TRP   27   4.11 +/- 0.07  99.982% * 99.4979% (0.65   6.07  52.86) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  17.47 +/- 0.68   0.018% *  0.5021% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.86, residual support = 18.2:
          HN    LEU   31 - HA    ASN   28   3.28 +/- 0.16  99.927% * 95.4652% (0.22   3.86  18.24) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.67 +/- 0.43   0.031% *  2.1790% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.13 +/- 0.32   0.040% *  0.3893% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.96 +/- 0.82   0.001% *  1.3483% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.01 +/- 0.80   0.001% *  0.6181% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 4.67, residual support = 9.2:
          HN    GLN   30 - HA    ASN   28   3.83 +/- 0.15  99.253% * 93.7163% (0.18   4.67   9.20) =  99.994%  kept
          HN    ASN   35 - HA    ASN   28   8.95 +/- 0.32   0.642% *  0.5107% (0.22   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    ASN   28  12.93 +/- 1.41   0.091% *  2.1175% (0.92   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    ASN   28  19.74 +/- 3.17   0.008% *  1.9898% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  20.02 +/- 1.61   0.006% *  1.6657% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.84, residual support = 105.4:
      O   HN    ASN   28 - HB2   ASN   28   2.53 +/- 0.21  99.986% * 99.7686% (0.65  10.0   6.84 105.38) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.74 +/- 1.07   0.013% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.11 +/- 1.07   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.71 +/- 0.54   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.18, residual support = 105.4:
      O   HD22  ASN   28 - HB3   ASN   28   4.00 +/- 0.12  99.979% * 99.9746% (0.98  10.0   4.18 105.38) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.54 +/- 0.55   0.021% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 105.4:
      O   HD21  ASN   28 - HB3   ASN   28   3.28 +/- 0.23  99.942% * 99.7595% (0.87  10.0   3.60 105.38) = 100.000%  kept
          HZ2   TRP   87 - HB3   ASN   28  13.95 +/- 3.59   0.051% *  0.1127% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB3   ASN   28  16.98 +/- 1.09   0.006% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  22.91 +/- 0.93   0.001% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.22 +/- 0.87   0.000% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.497, support = 5.5, residual support = 31.8:
          HN    GLU-  29 - HB3   ASN   28   3.39 +/- 0.25  90.935% * 46.0279% (0.45   5.76  34.33) =  89.744%  kept
          HN    GLN   30 - HB3   ASN   28   5.01 +/- 0.09   9.035% * 52.9444% (0.92   3.22   9.20) =  10.256%  kept
          HN    LYS+  99 - HB3   ASN   28  14.83 +/- 1.49   0.017% *  0.2019% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   ASN   28  16.96 +/- 3.17   0.010% *  0.3094% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  21.55 +/- 1.64   0.002% *  0.2856% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.20 +/- 3.20   0.002% *  0.2308% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.61, residual support = 105.4:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  97.918% * 99.8777% (0.92  10.0   6.61 105.38) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   6.76 +/- 0.24   2.045% *  0.0167% (0.15   1.0   0.02   2.68) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.39 +/- 0.74   0.035% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.66 +/- 0.64   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0199, residual support = 9.03:
          HN    GLN   30 - HB2   ASN   28   4.54 +/- 0.07  96.972% *  7.8959% (0.38   0.02   9.20) =  98.223%  kept
          HN    LYS+  99 - HB2   ASN   35  10.36 +/- 1.55   1.066% *  6.5298% (0.31   0.02   0.02) =   0.893%  kept
          HN    GLN   30 - HB2   ASN   35   9.22 +/- 1.02   1.755% *  2.4562% (0.12   0.02   0.02) =   0.553%  kept
          HN    LYS+  99 - HB2   ASN   28  15.86 +/- 1.46   0.067% * 20.9915% (1.00   0.02   0.02) =   0.180%
          HN    ASP-  86 - HB2   ASN   28  16.51 +/- 3.02   0.065% *  6.4934% (0.31   0.02   0.02) =   0.054%
          HN    GLU-  14 - HB2   ASN   28  20.94 +/- 1.64   0.012% * 19.9013% (0.95   0.02   0.02) =   0.030%
          HE1   HIS  122 - HB2   ASN   28  22.48 +/- 2.96   0.009% * 20.9915% (1.00   0.02   0.02) =   0.024%
          HE1   HIS  122 - HB2   ASN   35  19.72 +/- 3.70   0.027% *  6.5298% (0.31   0.02   0.02) =   0.023%
          HN    GLU-  14 - HB2   ASN   35  18.90 +/- 1.85   0.024% *  6.1907% (0.29   0.02   0.02) =   0.019%
          HN    ASP-  86 - HB2   ASN   35  25.64 +/- 2.95   0.004% *  2.0199% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 20 structures by 1.37 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.74, residual support = 105.4:
      O   HD21  ASN   28 - HB2   ASN   28   3.18 +/- 0.27  99.867% * 99.5979% (0.61  10.0   3.74 105.38) = 100.000%  kept
          HZ2   TRP   87 - HB2   ASN   28  13.96 +/- 3.50   0.061% *  0.1315% (0.80   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  11.41 +/- 1.07   0.062% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.48 +/- 1.20   0.006% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  19.17 +/- 1.98   0.003% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  21.43 +/- 3.46   0.002% *  0.0409% (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 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 +/- 0.02  97.183% * 98.9280% (0.49  10.0   5.42  19.43) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.85 +/- 0.17   1.732% *  0.0222% (0.11   1.0   0.02   1.48) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.69 +/- 0.35   0.892% *  0.0271% (0.13   1.0   0.02   0.28) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.06 +/- 1.57   0.092% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.53 +/- 1.47   0.015% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.48 +/- 0.91   0.033% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.61 +/- 1.79   0.028% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.56 +/- 1.79   0.005% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.58 +/- 3.11   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  20.42 +/- 2.83   0.003% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.63 +/- 1.77   0.005% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.34 +/- 2.90   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.82 +/- 3.61   0.004% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  23.83 +/- 3.24   0.001% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  26.43 +/- 2.68   0.001% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.462, support = 5.37, residual support = 84.5:
      O   HN    GLU-  29 - HB2   GLU-  29   2.41 +/- 0.34  84.700% * 60.1592% (0.41  10.0   5.29  92.22) =  89.421%  kept
          HN    GLN   30 - HB2   GLU-  29   3.29 +/- 0.22  15.297% * 39.4071% (0.90   1.0   6.01  19.43) =  10.579%  kept
          HN    GLU-  14 - HB2   GLU-  29  17.34 +/- 1.90   0.001% *  0.1222% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.14 +/- 1.34   0.001% *  0.0888% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  19.86 +/- 2.36   0.000% *  0.1222% (0.84   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.77 +/- 2.74   0.000% *  0.1005% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.492, support = 4.72, residual support = 80.1:
      O   HN    GLU-  29 - HB3   GLU-  29   3.36 +/- 0.43  71.112% * 66.3160% (0.41  10.0   4.75  92.22) =  83.340%  kept
          HN    GLN   30 - HB3   GLU-  29   3.95 +/- 0.25  28.573% * 32.9924% (0.90   1.0   4.56  19.43) =  16.660%  kept
          HN    GLN   30 - QB    GLU-  36   9.43 +/- 0.37   0.169% *  0.0448% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.84 +/- 0.42   0.073% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  12.63 +/- 0.96   0.033% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.95 +/- 1.56   0.023% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  17.23 +/- 2.05   0.006% *  0.1347% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.26 +/- 1.37   0.005% *  0.0978% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  21.09 +/- 2.70   0.001% *  0.1347% (0.84   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.27 +/- 2.63   0.003% *  0.0343% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  23.27 +/- 2.69   0.001% *  0.1108% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  25.96 +/- 2.42   0.000% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.915, support = 4.28, residual support = 91.8:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.84 +/- 0.18  32.759% * 95.1378% (0.99  10.0 10.00   4.28  92.22) =  92.014%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.50 +/- 0.08  67.212% *  4.0244% (0.04  10.0 10.00   4.30  86.76) =   7.986%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.22 +/- 0.99   0.018% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.82 +/- 1.22   0.008% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  20.03 +/- 2.73   0.000% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.54 +/- 0.87   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.00 +/- 1.06   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.40 +/- 1.11   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  26.14 +/- 1.05   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  24.50 +/- 2.48   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.53 +/- 0.62   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.86 +/- 0.76   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.84 +/- 0.71   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  29.74 +/- 1.99   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.45 +/- 0.74   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  28.01 +/- 1.95   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.282, residual support = 0.282:
          QD    LYS+  33 - HA    GLN   30   4.06 +/- 1.16  99.846% * 81.2658% (0.95   0.28   0.28) =  99.995%  kept
          HD2   LYS+  74 - HA    GLN   30  14.38 +/- 0.79   0.128% *  2.2862% (0.38   0.02   0.02) =   0.004%
          QB    ALA   57 - HA    GLN   30  20.39 +/- 0.80   0.018% *  4.1843% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  25.16 +/- 2.77   0.004% *  5.7624% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  29.62 +/- 1.72   0.002% *  4.4234% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  28.15 +/- 1.25   0.003% *  2.0779% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 6 structures by 0.67 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 = 0.179, support = 0.0198, residual support = 0.0198:
          QD1   LEU   71 - HA    GLN   30   6.34 +/- 2.79  97.228% *  8.2693% (0.15   0.02   0.02) =  92.885%  kept
          HB3   LEU  104 - HA    GLN   30  18.80 +/- 1.19   1.612% * 22.0331% (0.41   0.02   0.02) =   4.103%  kept
          QD2   LEU  123 - HA    GLN   30  21.08 +/- 2.63   0.377% * 48.0646% (0.90   0.02   0.02) =   2.091%  kept
          QD1   LEU  123 - HA    GLN   30  19.75 +/- 2.31   0.490% *  8.2693% (0.15   0.02   0.02) =   0.468%
          HG3   LYS+ 121 - HA    GLN   30  22.35 +/- 1.95   0.294% * 13.3638% (0.25   0.02   0.02) =   0.453%
    Distance limit 3.92 A violated in 13 structures by 2.37 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 = 6.33, residual support = 155.0:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.02  97.375% * 99.6773% (0.98  10.0   6.33 155.00) =  99.998%  kept
          HN    GLU-  29 - HA    GLN   30   5.18 +/- 0.06   2.606% *  0.0576% (0.57   1.0   0.02  19.43) =   0.002%
          HN    GLU-  14 - HA    GLN   30  14.29 +/- 1.68   0.008% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  13.90 +/- 1.29   0.008% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  19.23 +/- 2.83   0.001% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  21.88 +/- 2.44   0.001% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.4, residual support = 155.0:
      O   HN    GLN   30 - HB2   GLN   30   2.85 +/- 0.71  97.744% * 99.6773% (0.98  10.0   6.40 155.00) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.41 +/- 0.83   2.197% *  0.0576% (0.57   1.0   0.02  19.43) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  14.62 +/- 2.00   0.024% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.03 +/- 1.36   0.028% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  17.49 +/- 2.70   0.005% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  20.18 +/- 2.79   0.001% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.67, residual support = 155.0:
      O   HN    GLN   30 - HB3   GLN   30   2.76 +/- 0.51  98.015% * 99.4549% (0.65  10.0   6.67 155.00) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.33 +/- 0.60   1.948% *  0.0304% (0.20   1.0   0.02  19.43) =   0.001%
          HN    LYS+  99 - HB3   GLN   30  12.64 +/- 1.37   0.024% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.97 +/- 1.41   0.007% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.27 +/- 2.87   0.005% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  19.84 +/- 2.25   0.001% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 7.09, residual support = 153.4:
          HN    GLN   30 - HG2   GLN   30   3.52 +/- 0.40  94.329% * 82.6009% (0.65   7.12 155.00) =  98.850%  kept
          HN    GLU-  29 - HG2   GLN   30   5.64 +/- 0.50   5.594% * 16.1990% (0.20   4.57  19.43) =   1.150%  kept
          HN    GLU-  14 - HG2   GLN   30  13.68 +/- 1.74   0.044% *  0.3553% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  14.85 +/- 1.28   0.022% *  0.3110% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.56 +/- 2.38   0.008% *  0.3309% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  20.46 +/- 2.31   0.004% *  0.2030% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.869, support = 3.94, residual support = 153.5:
      O   HE21  GLN   30 - HG2   GLN   30   3.77 +/- 0.40  81.322% * 95.6330% (0.87  10.0   3.98 155.00) =  99.006%  kept
          HD1   TRP   27 - HG2   GLN   30   5.04 +/- 0.86  18.669% *  4.1812% (1.00   1.0   0.76   0.02) =   0.994%  kept
          QD    PHE   59 - HG2   GLN   30  18.24 +/- 1.91   0.008% *  0.1100% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  26.10 +/- 2.02   0.001% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.88, residual support = 154.9:
      O   HE21  GLN   30 - HG3   GLN   30   4.02 +/- 0.24  68.600% * 99.5784% (0.87  10.0   2.88 155.00) =  99.962%  kept
          HD1   TRP   27 - HG3   GLN   30   5.24 +/- 1.04  21.555% *  0.1145% (1.00   1.0   0.02   0.02) =   0.036%
          QD    PHE   59 - HB2   PRO   93   7.16 +/- 1.88   6.722% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.25 +/- 1.36   2.184% *  0.0230% (0.20   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  11.15 +/- 2.89   0.785% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  15.24 +/- 3.21   0.111% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.85 +/- 1.85   0.008% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.38 +/- 1.27   0.013% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.78 +/- 1.80   0.015% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  26.93 +/- 1.87   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  23.50 +/- 1.89   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.07 +/- 1.86   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.644, support = 6.25, residual support = 154.0:
          HN    GLN   30 - HG3   GLN   30   3.25 +/- 0.65  95.406% * 84.4353% (0.65   6.27 155.00) =  99.248%  kept
          HN    GLU-  29 - HG3   GLN   30   5.41 +/- 0.85   4.457% * 13.6850% (0.20   3.32  19.43) =   0.751%  kept
          HN    GLU-  14 - HG3   GLN   30  13.76 +/- 1.53   0.036% *  0.4124% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  14.67 +/- 1.52   0.027% *  0.3609% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.98 +/- 2.60   0.008% *  0.3841% (0.92   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  15.52 +/- 1.64   0.017% *  0.0772% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  14.48 +/- 1.92   0.025% *  0.0299% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  20.97 +/- 2.00   0.002% *  0.2356% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.19 +/- 2.30   0.003% *  0.0726% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  16.98 +/- 0.85   0.008% *  0.0184% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  18.67 +/- 0.96   0.004% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  23.30 +/- 2.79   0.001% *  0.0474% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.66 +/- 1.40   0.002% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.02 +/- 1.71   0.000% *  0.0541% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.60 +/- 1.74   0.000% *  0.0321% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.22 +/- 2.18   0.000% *  0.0829% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.68 +/- 1.46   0.002% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.25 +/- 1.72   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.183, support = 4.3, residual support = 36.6:
          HG    LEU   31 - HB3   GLN   30   4.71 +/- 0.56  32.706% * 73.9656% (0.15  1.00   5.82  50.05) =  70.009%  kept
          QD2   LEU   73 - HB3   GLN   30   3.97 +/- 0.87  67.276% * 15.4027% (0.25  1.00   0.75   5.13) =  29.989%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.53 +/- 1.28   0.008% *  8.0179% (0.49 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HB3   GLN   30  20.43 +/- 2.15   0.004% *  1.6146% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  19.60 +/- 2.61   0.006% *  0.9991% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 5.13:
          QD1   LEU   73 - HB3   GLN   30   2.95 +/- 0.84  99.591% * 96.9475% (0.87   3.23   5.13) =  99.998%  kept
          QD2   LEU   80 - HB3   GLN   30  12.07 +/- 4.10   0.161% *  0.6856% (0.99   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   GLN   30  13.14 +/- 1.17   0.054% *  0.6000% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.29 +/- 1.48   0.053% *  0.6000% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   GLN   30  12.05 +/- 1.96   0.084% *  0.2844% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.25 +/- 1.33   0.052% *  0.1923% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.54 +/- 1.51   0.005% *  0.6902% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.746, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.79 +/- 2.41  28.285% * 54.6388% (0.97   0.02   0.02) =  55.611%  kept
          HG3   LYS+ 121 - HB2   GLN   30  20.71 +/- 1.86  21.768% * 36.6255% (0.65   0.02   0.02) =  28.688%  kept
          QD1   ILE   56 - HB2   GLN   30  17.69 +/- 1.25  49.947% *  8.7356% (0.15   0.02   0.02) =  15.700%  kept
    Distance limit 3.43 A violated in 20 structures by 12.23 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.53, residual support = 5.13:
          QD1   LEU   73 - HB2   GLN   30   3.42 +/- 0.92  99.309% * 93.7567% (0.87   1.53   5.13) =  99.992%  kept
          QD2   LEU   80 - HB2   GLN   30  12.18 +/- 4.75   0.263% *  1.4023% (0.99   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB2   GLN   30  13.43 +/- 1.09   0.097% *  1.2272% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.51 +/- 1.44   0.095% *  1.2272% (0.87   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   GLN   30  12.31 +/- 2.61   0.117% *  0.5816% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   GLN   30  13.46 +/- 1.30   0.108% *  0.3934% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  18.76 +/- 1.44   0.010% *  1.4116% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 2 structures by 0.26 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.83, residual support = 155.0:
      O T HA    GLN   30 - HG3   GLN   30   2.43 +/- 0.52  98.582% * 98.6729% (0.65  10.0 10.00   4.83 155.00) = 100.000%  kept
          HB3   SER   37 - HG3   GLN   30   9.12 +/- 1.69   0.072% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG3   GLN   30  10.30 +/- 1.65   0.056% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   PRO   93   9.64 +/- 1.84   0.058% *  0.0863% (0.06   1.0 10.00   0.02   0.46) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   6.81 +/- 1.97   0.774% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   7.79 +/- 1.58   0.223% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  14.89 +/- 1.98   0.005% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93   9.96 +/- 2.65   0.184% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  18.11 +/- 2.67   0.002% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  13.87 +/- 1.81   0.008% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  11.27 +/- 0.54   0.020% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.72 +/- 1.58   0.009% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.21 +/- 2.34   0.003% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  22.00 +/- 1.49   0.000% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.81 +/- 1.40   0.000% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.92 +/- 1.77   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.24 +/- 1.27   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.22 +/- 1.06   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  27.11 +/- 1.64   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  19.09 +/- 1.10   0.001% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.34 +/- 2.73   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.56 +/- 2.09   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.79 +/- 1.37   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  28.67 +/- 1.93   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.35 +/- 1.22   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.22 +/- 2.05   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.73 +/- 1.57   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.31, residual support = 12.2:
          HZ2   TRP   27 - QD1   LEU   31   3.51 +/- 0.37  99.950% * 99.8463% (0.87   2.31  12.25) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.82 +/- 1.16   0.050% *  0.1537% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 0.987, residual support = 18.2:
          HD21  ASN   28 - QD1   LEU   31   3.92 +/- 0.28  99.242% * 93.9578% (0.92   0.99  18.24) =  99.990%  kept
          HZ2   TRP   87 - QD1   LEU   31  11.62 +/- 3.07   0.498% *  1.5763% (0.76   0.02   0.02) =   0.008%
          QE    PHE   60 - QD1   LEU   31  12.22 +/- 1.08   0.145% *  0.4082% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  15.94 +/- 1.18   0.027% *  1.5763% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   31  14.59 +/- 2.78   0.069% *  0.5735% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   31  19.33 +/- 1.12   0.008% *  1.3343% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.41 +/- 1.17   0.011% *  0.5735% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.472, support = 0.02, residual support = 0.02:
          HN    ASP- 105 - QD1   LEU   31  10.49 +/- 1.03  90.090% * 18.6164% (0.34   0.02   0.02) =  77.586%  kept
          HN    ALA   88 - QD1   LEU   31  16.78 +/- 2.37   8.346% * 52.6698% (0.97   0.02   0.02) =  20.336%  kept
          HN    PHE   55 - QD1   LEU   31  20.95 +/- 1.08   1.564% * 28.7138% (0.53   0.02   0.02) =   2.077%  kept
    Distance limit 4.16 A violated in 20 structures by 6.12 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.55, residual support = 231.8:
          HN    LEU   31 - HG    LEU   31   2.93 +/- 0.50  99.886% * 99.1243% (0.67   7.55 231.76) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.27 +/- 0.68   0.112% *  0.2035% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.33 +/- 1.09   0.001% *  0.2821% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  24.46 +/- 1.07   0.000% *  0.3117% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.98 +/- 1.06   0.000% *  0.0784% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.8:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.01  99.566% * 99.3670% (0.34  10.0   7.14 231.76) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.79 +/- 0.39   0.432% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  22.05 +/- 1.07   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  26.72 +/- 1.16   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 5.73, residual support = 44.2:
          HN    GLN   32 - HB3   LEU   31   3.71 +/- 0.22  84.941% * 79.2990% (0.76   5.92  45.94) =  95.694%  kept
          HN    ALA   34 - HB3   LEU   31   5.10 +/- 0.43  15.048% * 20.1446% (0.84   1.38   4.96) =   4.306%  kept
          HN    LEU   80 - HB3   LEU   31  19.11 +/- 2.86   0.007% *  0.2544% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  21.70 +/- 3.23   0.003% *  0.1315% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.51 +/- 1.22   0.001% *  0.1705% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.57, residual support = 18.2:
        T HA    ASN   28 - HB2   LEU   31   3.31 +/- 0.27  97.564% * 98.0556% (0.73 10.00   2.57  18.24) =  99.990%  kept
        T HA    ALA   34 - HB2   LEU   31   7.78 +/- 0.22   0.635% *  1.2110% (0.90 10.00   0.02   4.96) =   0.008%
          HA1   GLY  101 - HB2   LEU   31   8.59 +/- 2.30   1.456% *  0.1338% (0.99  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HB2   LEU   31   8.57 +/- 0.23   0.341% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.50 +/- 1.21   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  26.32 +/- 2.66   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.48 +/- 1.81   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.85 +/- 1.07   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.69 +/- 1.09   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.8:
      O   HN    LEU   31 - HB2   LEU   31   2.39 +/- 0.09  99.978% * 99.3670% (0.34  10.0   7.14 231.76) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.81 +/- 0.21   0.021% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.51 +/- 0.92   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.75 +/- 1.01   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 5.9, residual support = 45.7:
          HN    GLN   32 - HB2   LEU   31   2.80 +/- 0.19  98.000% * 79.2983% (0.76   5.92  45.94) =  99.485%  kept
          HN    ALA   34 - HB2   LEU   31   5.44 +/- 0.17   1.997% * 20.1453% (0.84   1.38   4.96) =   0.515%  kept
          HN    LEU   80 - HB2   LEU   31  18.13 +/- 2.73   0.002% *  0.2544% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  20.84 +/- 3.16   0.001% *  0.1315% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.51 +/- 1.12   0.000% *  0.1705% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.8:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.04  99.756% * 99.3670% (0.34  10.0   7.14 231.76) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.59 +/- 0.24   0.244% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.45 +/- 0.86   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.87 +/- 1.01   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.777, support = 5.2, residual support = 38.7:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.04  31.868% * 90.7212% (0.76  10.0   5.92  45.94) =  82.358%  kept
          HN    ALA   34 - HA    LEU   31   3.17 +/- 0.41  68.129% *  9.0903% (0.84   1.0   1.83   4.96) =  17.642%  kept
          HN    LEU   80 - HA    LEU   31  18.91 +/- 2.65   0.002% *  0.0862% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  22.24 +/- 2.79   0.001% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.85 +/- 1.09   0.000% *  0.0578% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 3.25:
          QD1   LEU   73 - HA    LEU   31   4.71 +/- 0.87  97.670% * 87.6996% (0.49   1.22   3.25) =  99.932%  kept
          QD1   LEU  104 - HA    LEU   31  11.00 +/- 1.01   1.206% *  2.9172% (0.99   0.02   0.02) =   0.041%
          QD2   LEU   80 - HA    LEU   31  14.40 +/- 4.69   0.365% *  2.5530% (0.87   0.02   0.02) =   0.011%
          QG1   VAL   83 - HA    LEU   31  13.51 +/- 2.54   0.329% *  2.3567% (0.80   0.02   0.02) =   0.009%
          QD1   LEU   63 - HA    LEU   31  13.70 +/- 1.39   0.304% *  1.4326% (0.49   0.02   0.02) =   0.005%
          QD2   LEU  115 - HA    LEU   31  18.73 +/- 1.45   0.041% *  2.4584% (0.84   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU   31  16.27 +/- 1.15   0.085% *  0.5825% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 10 structures by 1.01 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 2.94, residual support = 13.6:
          HD1   TRP   87 - QG2   VAL   83   3.05 +/- 0.66  98.294% * 95.3086% (0.53   2.94  13.56) =  99.985%  kept
          HN    ALA   91 - QG2   VAL   83   8.08 +/- 0.73   0.544% *  1.0280% (0.84   0.02   0.02) =   0.006%
          HE3   TRP   87 - QG2   VAL   83   6.98 +/- 0.66   0.836% *  0.5518% (0.45   0.02  13.56) =   0.005%
          HN    TRP   27 - QG2   VAL   83   9.32 +/- 1.68   0.302% *  1.2307% (1.00   0.02   0.66) =   0.004%
          HN    ALA   61 - QG2   VAL   83  15.49 +/- 0.86   0.015% *  0.9406% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  19.15 +/- 1.83   0.004% *  0.6968% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  18.96 +/- 2.05   0.005% *  0.2436% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  16.80 +/- 1.50 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 13.70 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.524, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QG2   VAL   42   7.75 +/- 0.99  35.499% * 30.1124% (0.67   0.02   0.02) =  48.486%  kept
          QD    PHE   59 - QG2   VAL   42   7.37 +/- 1.28  48.687% * 17.5479% (0.39   0.02   0.02) =  38.752%  kept
          HD1   TRP   27 - QG2   VAL   42   8.77 +/- 0.64  15.589% * 17.5479% (0.39   0.02   0.02) =  12.408%  kept
          HH2   TRP   49 - QG2   VAL   42  18.17 +/- 1.72   0.225% * 34.7918% (0.77   0.02   0.02) =   0.355%
    Distance limit 3.28 A violated in 20 structures by 2.96 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.79, support = 0.33, residual support = 1.39:
          QD2   LEU   40 - QG2   VAL   42   3.06 +/- 1.06  75.593% * 65.1602% (0.79  1.00   0.34   1.42) =  98.274%  kept
          QD1   LEU   67 - QG2   VAL   42   4.68 +/- 1.27  15.466% *  3.9116% (0.80  1.00   0.02   0.02) =   1.207%  kept
          QD2   LEU   71 - QG2   VAL   42   6.13 +/- 1.08   6.622% *  1.9082% (0.39  1.00   0.02   2.25) =   0.252%
        T HB    VAL   75 - QG2   VAL   42   9.18 +/- 1.12   0.485% * 19.0820% (0.39 10.00   0.02   0.02) =   0.185%
          QG2   ILE  103 - QG2   VAL   42   7.31 +/- 0.76   0.432% *  3.8856% (0.79  1.00   0.02   0.02) =   0.033%
          HG3   LYS+  74 - QG2   VAL   42   9.92 +/- 1.35   0.342% *  3.7084% (0.76  1.00   0.02   0.02) =   0.025%
          QD1   ILE  103 - QG2   VAL   42   7.62 +/- 0.72   0.434% *  1.4713% (0.30  1.00   0.02   0.02) =   0.013%
          QG2   ILE  119 - QG2   VAL   42   7.80 +/- 1.31   0.626% *  0.8728% (0.18  1.00   0.02   0.02) =   0.011%
    Distance limit 3.00 A violated in 2 structures by 0.27 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 = 0.933, support = 3.57, residual support = 12.1:
        T HZ2   TRP   27 - QD2   LEU   31   4.02 +/- 0.48  27.184% * 97.5578% (0.99 10.00   3.76  12.25) =  93.716%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.33 +/- 0.80  72.816% *  2.4422% (0.07 10.00   0.74   9.60) =   6.284%  kept
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 50.0:
          HE22  GLN   30 - QD2   LEU   31   4.05 +/- 0.13  95.011% * 99.1218% (0.90   3.20  50.05) =  99.997%  kept
          HE22  GLN   30 - QG2   VAL   43   7.29 +/- 1.04   4.797% *  0.0419% (0.06   0.02   0.02) =   0.002%
          HD22  ASN   69 - QD2   LEU   31  13.80 +/- 1.30   0.074% *  0.4470% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  19.26 +/- 0.61   0.008% *  0.3363% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.39 +/- 0.40   0.075% *  0.0228% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  15.34 +/- 0.78   0.035% *  0.0303% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 60.9:
      O T HA    VAL   43 - QG2   VAL   43   2.35 +/- 0.17  99.505% * 99.3737% (0.50  10.0 10.00   3.00  60.89) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   6.29 +/- 0.91   0.450% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   9.67 +/- 0.72   0.023% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.31 +/- 0.39   0.016% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.69 +/- 0.29   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.97 +/- 1.07   0.004% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.488, support = 1.75, residual support = 9.68:
          HZ3   TRP   27 - QG2   VAL   43   2.95 +/- 0.31  98.836% * 26.5728% (0.50  1.00   1.75   9.60) =  96.848%  kept
        T HZ3   TRP   27 - QD2   LEU   31   6.32 +/- 0.52   1.164% * 73.4272% (0.14 10.00   1.69  12.25) =   3.152%  kept
    Distance limit 2.94 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.917, support = 4.21, residual support = 44.2:
          HN    GLN   32 - QG    GLN   32   3.31 +/- 0.68  94.774% * 85.5020% (0.92   4.22  44.60) =  99.111%  kept
          HN    ALA   34 - QG    GLN   32   5.73 +/- 0.38   5.220% * 13.9297% (0.22   2.85   0.02) =   0.889%  kept
          HN    SER   85 - QG    GLN   32  22.54 +/- 3.59   0.001% *  0.4237% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  20.05 +/- 3.08   0.003% *  0.0677% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.79 +/- 1.29   0.002% *  0.0769% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.22, residual support = 44.6:
      O   HN    GLN   32 - QB    GLN   32   2.18 +/- 0.12  99.250% * 99.8359% (0.92  10.0   4.22  44.60) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.93 +/- 0.17   0.750% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    GLN   32  21.83 +/- 2.77   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  18.99 +/- 2.28   0.000% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.01 +/- 0.59   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.221, support = 5.66, residual support = 64.7:
      O   HN    GLU-  29 - HA    GLU-  29   2.74 +/- 0.03  80.375% * 27.4129% (0.14  10.0   5.80  92.22) =  62.142%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.02  18.873% * 71.1184% (0.36  10.0   5.42  19.43) =  37.856%  kept
          HN    GLN   30 - HA    GLN   32   6.85 +/- 0.17   0.336% *  0.1093% (0.55   1.0   0.02   1.48) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.69 +/- 0.35   0.173% *  0.1125% (0.57   1.0   0.02   0.28) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.82 +/- 0.29   0.154% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.44 +/- 0.49   0.051% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.06 +/- 1.57   0.018% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.61 +/- 1.79   0.005% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.48 +/- 0.91   0.006% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.53 +/- 1.47   0.003% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.63 +/- 1.77   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.56 +/- 1.79   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.82 +/- 3.61   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.34 +/- 2.90   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  20.42 +/- 2.83   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.58 +/- 3.11   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  23.83 +/- 3.24   0.000% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  26.43 +/- 2.68   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 4.17, residual support = 44.6:
      O   HN    GLN   32 - HA    GLN   32   2.75 +/- 0.04  80.375% * 99.0998% (0.39  10.0   4.17  44.60) =  99.983%  kept
          HN    GLN   32 - HA    GLU-  29   3.54 +/- 0.16  17.940% *  0.0645% (0.25   1.0   0.02   0.02) =   0.015%
          HN    GLN   32 - HA    LYS+  33   5.25 +/- 0.09   1.682% *  0.1020% (0.40   1.0   0.02  11.70) =   0.002%
          HN    SER   85 - HA    GLU-  29  21.27 +/- 2.94   0.000% *  0.1052% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  24.98 +/- 3.25   0.000% *  0.1616% (0.63   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.83 +/- 0.76   0.000% *  0.0852% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.69 +/- 0.66   0.000% *  0.0555% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.03 +/- 0.79   0.000% *  0.0877% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  27.30 +/- 2.69   0.000% *  0.1663% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  19.07 +/- 1.37   0.001% *  0.0176% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  23.10 +/- 1.55   0.000% *  0.0270% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  24.01 +/- 1.28   0.000% *  0.0278% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.654, support = 5.52, residual support = 140.9:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.01  76.233% * 79.3011% (0.69  10.0   5.60 149.94) =  93.475%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.02  20.689% * 20.3940% (0.18  10.0   4.24  11.70) =   6.524%  kept
          HN    LYS+  33 - HA    GLU-  29   5.15 +/- 0.59   3.047% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.32 +/- 0.28   0.020% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.24 +/- 0.50   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.64 +/- 0.45   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.47 +/- 1.28   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  22.23 +/- 2.10   0.000% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  27.51 +/- 1.77   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.31 +/- 1.61   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.71 +/- 1.26   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  25.16 +/- 2.26   0.000% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.591, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.60 +/- 0.95  13.601% * 37.1179% (0.92   0.02   0.02) =  43.811%  kept
          HE3   TRP   27 - QB    LYS+  33  11.61 +/- 0.44  76.766% *  5.4417% (0.14   0.02   0.02) =  36.252%  kept
          HN    LYS+  66 - QB    LYS+  33  17.59 +/- 1.18   7.011% * 18.0271% (0.45   0.02   0.02) =  10.967%  kept
          HN    LYS+  81 - QB    LYS+  33  21.52 +/- 2.89   2.622% * 39.4132% (0.98   0.02   0.02) =   8.970%  kept
    Distance limit 3.60 A violated in 20 structures by 7.50 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 149.9:
      O   HN    LYS+  33 - QB    LYS+  33   2.33 +/- 0.30  99.987% * 99.9232% (0.97  10.0   5.77 149.94) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.69 +/- 0.55   0.013% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.80 +/- 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 = 0.916, support = 5.87, residual support = 43.0:
          HN    ALA   34 - QB    LYS+  33   2.82 +/- 0.23  94.466% * 67.7941% (0.92   5.93  43.87) =  97.328%  kept
          HN    GLN   32 - QB    LYS+  33   4.68 +/- 0.35   5.532% * 31.7796% (0.65   3.96  11.70) =   2.672%  kept
          HN    LEU   80 - QB    LYS+  33  19.23 +/- 2.09   0.001% *  0.2071% (0.84   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.15 +/- 1.11   0.000% *  0.1504% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  23.09 +/- 2.19   0.000% *  0.0689% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.394, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  11.59 +/- 1.37  78.115% *  8.4971% (0.20   0.02   0.02) =  53.720%  kept
          HN    ILE  103 - QB    LYS+  33  15.26 +/- 0.85  17.770% * 24.3087% (0.57   0.02   0.02) =  34.960%  kept
          HN    SER   82 - QB    LYS+  33  21.05 +/- 2.80   3.092% * 34.3809% (0.80   0.02   0.02) =   8.602%  kept
          HN    GLN   90 - QB    LYS+  33  24.32 +/- 1.11   1.023% * 32.8133% (0.76   0.02   0.02) =   2.718%  kept
    Distance limit 3.80 A violated in 20 structures by 7.28 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.39, residual support = 149.9:
      O   HA    LYS+  33 - HG2   LYS+  33   3.44 +/- 0.59  84.551% * 98.3393% (0.53  10.0   5.39 149.94) =  99.982%  kept
          HB2   SER   37 - HG2   LYS+  33   6.45 +/- 1.48   7.332% *  0.1561% (0.84   1.0   0.02   0.02) =   0.014%
          HB2   SER   82 - QG    LYS+  81   6.21 +/- 0.80   5.687% *  0.0249% (0.13   1.0   0.02  19.31) =   0.002%
          HA    GLU-  29 - HG2   LYS+  33   7.15 +/- 1.39   1.908% *  0.0702% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+  33  11.14 +/- 2.59   0.286% *  0.1561% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HG2   LYS+ 106  13.43 +/- 1.46   0.058% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  12.80 +/- 2.05   0.082% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  14.75 +/- 2.51   0.048% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.68 +/- 1.80   0.017% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.27 +/- 1.74   0.007% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.25 +/- 2.57   0.005% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.02 +/- 1.75   0.003% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  19.87 +/- 2.97   0.004% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  19.45 +/- 1.10   0.004% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.69 +/- 2.31   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.89 +/- 1.34   0.002% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  23.01 +/- 3.50   0.002% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.26 +/- 1.43   0.002% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  25.60 +/- 1.38   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  23.10 +/- 3.27   0.001% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  26.30 +/- 1.76   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  25.16 +/- 2.66   0.001% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  27.43 +/- 2.04   0.000% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  25.22 +/- 1.27   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.7, residual support = 122.6:
        T QD1   ILE   56 - QG2   ILE   56   2.63 +/- 0.65  99.864% * 99.6085% (0.98 10.00   4.70 122.60) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.35 +/- 1.60   0.076% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  13.69 +/- 1.17   0.015% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.29 +/- 1.15   0.012% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.52 +/- 1.13   0.028% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.35 +/- 1.47   0.004% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.27 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   2.82 +/- 0.84  99.406% * 49.9558% (0.99 10.00   0.02   0.02) =  99.974%  kept
          HA    GLU- 114 - QG2   ILE   56   9.30 +/- 1.12   0.573% *  1.2568% (0.25  1.00   0.02   0.02) =   0.015%
        T HA    ILE   19 - QG2   ILE   56  15.39 +/- 1.59   0.014% * 42.0992% (0.84 10.00   0.02   0.02) =   0.011%
          HA    GLU-  25 - QG2   ILE   56  19.83 +/- 1.35   0.002% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG2   ILE   56  19.94 +/- 1.45   0.002% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  19.35 +/- 1.60   0.003% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 3 structures by 0.27 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 = 0.845, support = 3.0, residual support = 14.3:
          HA    PHE   55 - QG2   ILE   56   5.03 +/- 0.70  23.258% * 87.1261% (0.92   3.89  18.01) =  71.663%  kept
          HA    ALA  110 - QG2   ILE   56   4.27 +/- 2.29  67.967% * 11.7761% (0.65   0.75   5.05) =  28.305%  kept
          HA    THR   46 - QG2   ILE   56   6.30 +/- 1.42   8.507% *  0.0961% (0.20   0.02   0.02) =   0.029%
          HA    VAL   42 - QG2   ILE   56  11.41 +/- 1.28   0.132% *  0.3887% (0.80   0.02   0.02) =   0.002%
          HA    GLN   90 - QG2   ILE   56  11.58 +/- 1.28   0.096% *  0.3710% (0.76   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  13.94 +/- 1.42   0.038% *  0.1210% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.29 +/- 1.51   0.001% *  0.1210% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.35 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  10.71 +/- 1.08 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 7.80 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.0:
          HN    ALA   57 - QG2   ILE   56   3.66 +/- 0.26  97.922% * 99.1190% (0.92   5.34  33.01) =  99.993%  kept
          HE21  GLN  116 - QG2   ILE   56   9.53 +/- 1.93   1.740% *  0.3490% (0.87   0.02   0.02) =   0.006%
          HN    ALA  120 - QG2   ILE   56  10.76 +/- 1.24   0.298% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  14.33 +/- 1.64   0.041% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.61, residual support = 122.6:
          HN    ILE   56 - QG2   ILE   56   2.43 +/- 0.45  92.093% * 98.5222% (0.65   6.61 122.60) =  99.990%  kept
          QE    PHE   60 - QG2   ILE   56   6.35 +/- 1.91   5.087% *  0.0912% (0.20   0.02   4.10) =   0.005%
          HN    LYS+ 111 - QG2   ILE   56   5.63 +/- 1.30   2.452% *  0.1282% (0.28   0.02   1.98) =   0.003%
          HN    LEU   63 - QG2   ILE   56   7.93 +/- 1.04   0.362% *  0.3523% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  16.26 +/- 2.15   0.002% *  0.3523% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  17.45 +/- 1.38   0.001% *  0.4256% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.20 +/- 1.15   0.003% *  0.1282% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.787, support = 1.38, residual support = 2.84:
        T HB    THR   39 - QB    ALA   34   4.40 +/- 0.82  44.422% * 86.5194% (0.80 10.00   1.37   2.96) =  91.148%  kept
          HB3   SER   37 - QB    ALA   34   4.37 +/- 0.40  33.784% *  7.6418% (0.69  1.00   1.42   1.72) =   6.123%  kept
          HA    GLN   30 - QB    ALA   34   4.97 +/- 0.90  21.684% *  5.3068% (0.44  1.00   1.55   1.23) =   2.729%  kept
          QB    SER   13 - QB    ALA   34  13.08 +/- 1.82   0.078% *  0.1301% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  18.16 +/- 2.75   0.008% *  0.1397% (0.89  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.78 +/- 1.01   0.016% *  0.0529% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  19.61 +/- 1.05   0.004% *  0.1077% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.62 +/- 1.04   0.001% *  0.0798% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.72 +/- 0.90   0.004% *  0.0217% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.02, residual support = 4.96:
          HA    LEU   31 - QB    ALA   34   2.40 +/- 0.36 100.000% *100.0000% (0.65   1.02   4.96) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 2.95, residual support = 9.25:
        T QG1   VAL   41 - QB    ALA   34   1.99 +/- 0.36  97.097% * 89.7536% (0.75 10.00   2.96   9.27) =  99.800%  kept
          HG    LEU   31 - QB    ALA   34   4.66 +/- 0.69   1.917% *  9.0505% (0.83  1.00   1.82   4.96) =   0.199%
          QD2   LEU   73 - QB    ALA   34   4.99 +/- 0.87   0.832% *  0.0860% (0.72  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   34   6.34 +/- 0.58   0.142% *  0.0695% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.00 +/- 0.92   0.009% *  0.4418% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.20 +/- 1.04   0.001% *  0.5653% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.54 +/- 0.81   0.002% *  0.0332% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.32, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.95 +/- 0.06  99.916% * 98.6048% (0.62   3.32  18.77) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.86 +/- 0.65   0.079% *  0.2666% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.81 +/- 1.83   0.004% *  0.8620% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.13 +/- 0.92   0.001% *  0.2666% (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 = 3.73, residual support = 25.6:
      O   HN    ALA   34 - QB    ALA   34   2.02 +/- 0.08  99.995% * 99.6936% (0.58  10.0   3.73  25.59) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  10.88 +/- 0.70   0.005% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  17.41 +/- 2.02   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.14 +/- 0.90   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 3.53, residual support = 25.6:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.02  99.601% * 99.6949% (0.87  10.0   3.53  25.59) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.94 +/- 0.12   0.398% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA   34  22.68 +/- 2.31   0.000% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.04 +/- 1.10   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.04 +/- 2.60   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.08 +/- 1.27   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.26 +/- 2.73   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  33.10 +/- 1.82   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.89, support = 1.49, residual support = 2.1:
          HB3   SER   37 - HA    ALA   34   2.79 +/- 0.45  77.278% * 38.0251% (0.89   1.27   1.72) =  69.587%  kept
          HB    THR   39 - HA    ALA   34   4.08 +/- 1.14  21.818% * 58.8589% (0.88   2.00   2.96) =  30.411%  kept
          HA    GLN   30 - HA    ALA   34   6.62 +/- 0.99   0.881% *  0.1052% (0.16   0.02   1.23) =   0.002%
          QB    SER   13 - HA    ALA   34  14.19 +/- 2.32   0.011% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  13.04 +/- 0.49   0.009% *  0.1053% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.38 +/- 1.27   0.001% *  0.4589% (0.69   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  18.81 +/- 3.06   0.001% *  0.1351% (0.20   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  23.77 +/- 3.21   0.000% *  0.4360% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  25.73 +/- 1.23   0.000% *  0.5991% (0.89   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  23.00 +/- 2.19   0.000% *  0.1330% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  22.49 +/- 2.94   0.000% *  0.1375% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  30.13 +/- 1.26   0.000% *  0.1337% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  31.10 +/- 0.82   0.000% *  0.1375% (0.21   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  26.73 +/- 2.47   0.000% *  0.0241% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.03 +/- 1.44   0.000% *  0.0307% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  36.06 +/- 2.69   0.000% *  0.1001% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.77 +/- 0.06  99.717% * 97.5620% (0.90  10.0 10.00   4.03  55.51) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.66 +/- 1.13   0.103% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   ASN   35   9.25 +/- 1.64   0.156% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  13.05 +/- 0.51   0.009% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  17.25 +/- 2.03   0.003% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.39 +/- 0.74   0.004% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.86 +/- 1.10   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.70 +/- 1.31   0.004% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  23.09 +/- 3.81   0.001% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  19.55 +/- 2.21   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.20 +/- 1.61   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  22.36 +/- 1.93   0.000% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.98 +/- 1.34   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.98 +/- 1.05   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.42 +/- 2.46   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.81 +/- 1.72   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  26.24 +/- 0.96   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  30.91 +/- 0.97   0.000% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB2   ASN   35   2.47 +/- 0.54  99.936% * 99.6071% (0.57  10.0   5.88  55.51) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.36 +/- 1.55   0.029% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.84 +/- 0.39   0.028% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.72 +/- 3.70   0.002% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  15.86 +/- 1.46   0.003% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.90 +/- 1.85   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.48 +/- 2.96   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.94 +/- 1.64   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  22.48 +/- 2.72   0.000% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  25.58 +/- 2.15   0.000% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.5:
      O   HD21  ASN   35 - HB2   ASN   35   2.55 +/- 0.49  99.912% * 99.7208% (1.00  10.0   3.60  55.51) = 100.000%  kept
          HD2   HIS   22 - HB2   ASN   28  10.35 +/- 1.51   0.048% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   ASN   28  11.02 +/- 0.84   0.037% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  17.71 +/- 1.88   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.51 +/- 0.96   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.91 +/- 1.76   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.76 +/- 0.68   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  23.45 +/- 2.59   0.000% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  32.13 +/- 2.27   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  31.75 +/- 1.80   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.954, support = 2.18, residual support = 7.15:
        T HA    GLN   32 - HB2   ASN   35   3.29 +/- 0.74  72.742% * 74.0291% (0.99 10.00   2.10   6.31) =  95.653%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.13 +/- 0.24  22.745% *  7.9253% (0.11 10.00   4.74  34.33) =   3.202%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.36 +/- 0.36   3.870% * 16.6286% (0.22 10.00   2.01   1.35) =   1.143%  kept
        T HA    GLN   32 - HB2   ASN   28   8.56 +/- 0.58   0.326% *  0.2303% (0.31 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   ASN   35   8.68 +/- 0.81   0.191% *  0.2548% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  11.06 +/- 0.54   0.061% *  0.0517% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  14.09 +/- 4.19   0.038% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.90 +/- 1.14   0.001% *  0.3349% (0.45 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  17.27 +/- 1.46   0.003% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  16.58 +/- 3.11   0.008% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.79 +/- 1.01   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  15.77 +/- 0.49   0.007% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  20.16 +/- 2.53   0.002% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  20.51 +/- 2.52   0.002% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  24.52 +/- 4.04   0.001% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.98 +/- 1.30   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  25.25 +/- 2.87   0.000% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  29.02 +/- 2.12   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.58 +/- 1.34   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.90 +/- 1.21   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.57 +/- 1.41   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.28 +/- 1.69   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.11 +/- 2.77   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.35 +/- 1.55   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.87, residual support = 52.0:
          QB    GLU-  36 - HB3   ASN   35   3.98 +/- 0.20  97.332% * 98.6139% (0.99   4.87  52.00) =  99.997%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.60 +/- 0.59   2.216% *  0.0715% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.55 +/- 0.51   0.313% *  0.3770% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  12.23 +/- 0.67   0.136% *  0.2312% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  24.34 +/- 2.14   0.002% *  0.3942% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  31.46 +/- 1.25   0.000% *  0.3121% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.777, support = 5.07, residual support = 47.1:
          QB    GLU-  36 - HB2   ASN   35   4.73 +/- 0.31  30.822% * 69.8047% (0.99  1.00   5.28  52.00) =  72.438%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.47 +/- 0.58  49.765% * 10.6818% (0.18  1.00   4.55  34.33) =  17.897%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.41 +/- 0.49  16.795% * 17.0782% (0.29  1.00   4.46  34.33) =   9.657%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.68 +/- 0.78   2.005% *  0.0467% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.40 +/- 0.92   0.302% *  0.2461% (0.92  1.00   0.02   0.02) =   0.003%
        T HB3   GLU-  79 - HB2   ASN   28  14.34 +/- 2.29   0.057% *  0.8002% (0.30 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  11.96 +/- 0.75   0.127% *  0.1509% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  12.13 +/- 0.43   0.106% *  0.0822% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  22.76 +/- 1.91   0.003% *  0.6337% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  23.68 +/- 2.35   0.002% *  0.2573% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.40 +/- 1.64   0.016% *  0.0145% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  30.59 +/- 1.58   0.000% *  0.2037% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.551, support = 1.88, residual support = 5.57:
          HA    GLN   32 - HB3   ASN   35   3.44 +/- 0.41  88.639% * 36.9253% (0.49  1.00   1.95   6.31) =  85.201%  kept
          HA    LYS+  33 - HB3   ASN   35   5.03 +/- 0.31  11.025% * 51.5415% (0.92  1.00   1.44   1.35) =  14.792%  kept
          HA    GLU-  29 - HB3   ASN   35   8.97 +/- 0.49   0.297% *  0.7693% (0.99  1.00   0.02   0.02) =   0.006%
        T HA    VAL   18 - HB3   ASN   35  17.73 +/- 1.22   0.006% *  7.7442% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.39 +/- 1.06   0.032% *  0.5021% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  25.23 +/- 4.06   0.001% *  0.7744% (1.00  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  27.71 +/- 1.90   0.000% *  0.5021% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  30.31 +/- 1.03   0.000% *  0.5932% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  29.90 +/- 2.19   0.000% *  0.4083% (0.53  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.11 +/- 1.09   0.000% *  0.2396% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.5:
      O   HA    ASN   35 - HB3   ASN   35   2.99 +/- 0.04  99.733% * 99.4336% (0.90  10.0   3.95  55.51) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35   9.79 +/- 1.64   0.160% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.17 +/- 1.22   0.101% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  17.32 +/- 1.95   0.004% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.22 +/- 2.30   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  23.50 +/- 4.03   0.001% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.93 +/- 1.28   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.58 +/- 1.24   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.56 +/- 1.42   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.5:
      O   HD21  ASN   35 - HB3   ASN   35   2.76 +/- 0.45  99.997% * 99.8105% (1.00  10.0   3.26  55.51) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  18.04 +/- 1.71   0.002% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.84 +/- 1.02   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  32.93 +/- 1.81   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  32.62 +/- 1.87   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 52.0:
          HN    GLU-  36 - HB3   ASN   35   2.98 +/- 0.11  99.528% * 98.9717% (0.97   5.91  52.00) =  99.999%  kept
          HN    THR   39 - HB3   ASN   35   7.58 +/- 0.32   0.379% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35  10.34 +/- 1.37   0.084% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.12 +/- 0.52   0.009% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  24.39 +/- 2.20   0.000% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB3   ASN   35   2.74 +/- 0.38  99.999% * 99.9102% (0.97  10.0   5.88  55.51) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  21.98 +/- 2.86   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.5:
      O   HD22  ASN   35 - HB3   ASN   35   3.75 +/- 0.22 100.000% *100.0000% (0.99  10.0   3.26  55.51) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 52.0:
          HN    GLU-  36 - HB2   ASN   35   3.50 +/- 0.22  98.498% * 98.9280% (0.92   6.05  52.00) =  99.997%  kept
          HN    THR   39 - HB2   ASN   35   7.52 +/- 0.40   1.047% *  0.1863% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   35   9.69 +/- 1.42   0.355% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  12.48 +/- 0.34   0.051% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  15.90 +/- 1.63   0.013% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  15.72 +/- 2.43   0.020% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.40 +/- 0.69   0.014% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  23.51 +/- 2.19   0.001% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.58, residual support = 86.8:
      O T HA    GLU-  36 - QB    GLU-  36   2.45 +/- 0.18  99.993% * 99.4140% (0.84  10.0 10.00   5.58  86.76) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.58 +/- 0.73   0.006% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.78 +/- 0.91   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  21.13 +/- 2.77   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  26.72 +/- 2.30   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  23.85 +/- 2.83   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  25.03 +/- 1.09   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  29.13 +/- 1.01   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.44 +/- 0.93   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.95 +/- 2.14   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 19.4:
          HN    SER   37 - QB    GLU-  36   3.41 +/- 0.20  85.968% * 95.6938% (0.45   3.72  19.44) =  99.956%  kept
          HN    LYS+  33 - QB    GLU-  36   4.97 +/- 0.37   9.934% *  0.3192% (0.28   0.02   0.02) =   0.039%
          HN    LYS+  33 - HB3   GLU-  29   6.01 +/- 0.71   3.903% *  0.0989% (0.09   0.02   0.02) =   0.005%
          HN    CYS   21 - HB3   GLU-  29  10.54 +/- 0.58   0.116% *  0.3433% (0.30   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.39 +/- 0.56   0.011% *  1.1080% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.62 +/- 0.98   0.066% *  0.1595% (0.14   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  23.95 +/- 1.25   0.001% *  0.9959% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  26.94 +/- 1.51   0.000% *  0.7427% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  22.91 +/- 2.06   0.001% *  0.2301% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.59 +/- 1.08   0.000% *  0.3085% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.8:
      O   HN    GLU-  36 - QB    GLU-  36   2.17 +/- 0.08  99.859% * 99.6455% (0.69  10.0   7.31  86.76) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.67 +/- 0.44   0.125% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  12.36 +/- 1.08   0.004% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.23 +/- 0.68   0.010% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.79 +/- 0.83   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  17.39 +/- 1.60   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  17.81 +/- 0.86   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  20.33 +/- 2.49   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  24.29 +/- 1.76   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.25 +/- 1.01   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 = 86.8:
          HN    GLU-  36 - HG2   GLU-  36   3.66 +/- 0.48  99.948% * 98.4059% (0.28   4.86  86.76) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  13.91 +/- 1.29   0.048% *  0.6525% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.25 +/- 1.20   0.004% *  0.9415% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 86.8:
          HN    GLU-  36 - HG3   GLU-  36   3.90 +/- 0.41  98.573% * 98.8161% (0.69   4.86  86.76) =  99.997%  kept
          HN    THR   39 - HG3   GLU-  36   8.43 +/- 1.34   1.324% *  0.1645% (0.28   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HG3   GLU-  36  14.50 +/- 1.40   0.053% *  0.5132% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  18.80 +/- 2.53   0.017% *  0.0506% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  20.78 +/- 1.26   0.005% *  0.1475% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.85 +/- 2.37   0.025% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  27.99 +/- 2.14   0.001% *  0.1826% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.38 +/- 2.23   0.001% *  0.0639% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  28.56 +/- 1.99   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  34.54 +/- 2.01   0.000% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.8:
      O   HN    GLU-  36 - HA    GLU-  36   2.88 +/- 0.01  99.981% * 99.6076% (0.28  10.0   6.06  86.76) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  12.54 +/- 1.12   0.018% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.06 +/- 1.00   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.44, residual support = 26.6:
      O   HN    SER   37 - HB2   SER   37   3.45 +/- 0.32  99.985% * 99.7690% (0.98  10.0   3.44  26.57) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  15.66 +/- 0.81   0.013% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  22.46 +/- 1.90   0.002% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  29.47 +/- 1.25   0.000% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.543, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.30 +/- 0.83  55.195% * 12.9780% (0.47   0.02   0.02) =  56.634%  kept
          HN    GLU-  29 - HB3   SER   37  12.64 +/- 0.85  15.871% * 22.4691% (0.82   0.02   0.02) =  28.195%  kept
          HN    VAL   18 - QB    SER   13  12.70 +/- 1.01  18.133% *  4.8772% (0.18   0.02   0.02) =   6.992%  kept
          HN    GLN   30 - QB    SER   13  17.35 +/- 2.14   3.860% *  9.9312% (0.36   0.02   0.02) =   3.031%  kept
          HN    VAL   18 - HB3   SER   37  15.50 +/- 1.05   4.939% *  6.3735% (0.23   0.02   0.02) =   2.489%  kept
          HN    GLU-  29 - QB    SER   13  19.34 +/- 2.15   1.781% * 17.1942% (0.63   0.02   0.02) =   2.421%  kept
          HN    ASP-  86 - HB3   SER   37  28.06 +/- 2.39   0.149% * 14.8290% (0.54   0.02   0.02) =   0.174%
          HN    ASP-  86 - QB    SER   13  31.63 +/- 2.01   0.072% * 11.3477% (0.41   0.02   0.02) =   0.065%
    Distance limit 3.78 A violated in 20 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.64, residual support = 220.6:
      O   HN    LYS+  38 - HA    LYS+  38   2.29 +/- 0.21  95.773% * 99.8691% (0.92  10.0   6.64 220.62) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.16 +/- 0.17   2.702% *  0.0270% (0.25   1.0   0.02  13.54) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   5.52 +/- 1.65   1.291% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   6.88 +/- 1.28   0.204% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.84 +/- 0.38   0.010% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  10.40 +/- 1.32   0.019% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.07 +/- 0.92   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.11 +/- 1.04   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.16 +/- 1.58   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.25 +/- 1.18   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.34, residual support = 28.8:
      O   HN    THR   39 - HA    LYS+  38   3.28 +/- 0.16  81.912% * 99.6467% (0.92  10.0   6.34  28.84) =  99.994%  kept
          HN    GLU-  36 - HA    LYS+  38   5.57 +/- 0.33   3.641% *  0.1021% (0.95   1.0   0.02   0.63) =   0.005%
          HN    LYS+ 102 - HA    LYS+  38   8.52 +/- 2.28   0.572% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    GLU- 100   4.95 +/- 0.39   7.827% *  0.0052% (0.05   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    GLU- 100   6.13 +/- 1.66   4.781% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   7.24 +/- 1.04   1.254% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.56 +/- 0.76   0.005% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  25.81 +/- 1.77   0.000% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.21 +/- 1.31   0.007% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  23.69 +/- 2.35   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 13.5:
          HN    SER   37 - HB2   LYS+  38   4.62 +/- 0.16  99.951% * 32.1378% (1.00   0.02  13.54) =  99.979%  kept
          HN    CYS   21 - HB2   LYS+  38  18.91 +/- 2.45   0.039% * 10.9869% (0.34   0.02   0.02) =   0.013%
          HN    ILE  119 - HB2   LYS+  38  22.37 +/- 1.76   0.009% * 25.7912% (0.80   0.02   0.02) =   0.007%
          HN    ILE   89 - HB2   LYS+  38  30.80 +/- 2.19   0.001% * 31.0842% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 15 structures by 0.93 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.452, support = 5.35, residual support = 28.6:
          HN    THR   39 - HB2   LYS+  38   3.82 +/- 0.62  92.676% * 88.5027% (0.45   5.40  28.84) =  99.146%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.32 +/- 0.40   6.736% * 10.4244% (0.87   0.33   0.63) =   0.849%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.35 +/- 1.39   0.587% *  0.7169% (0.98   0.02   0.02) =   0.005%
          HD1   TRP   87 - HB2   LYS+  38  27.87 +/- 2.32   0.001% *  0.3560% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 4 structures by 0.58 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.784, support = 5.79, residual support = 212.5:
          HN    LYS+  38 - HG2   LYS+  38   3.48 +/- 0.27  86.523% * 75.6872% (0.80   5.86 220.62) =  96.065%  kept
          HN    SER   37 - HG2   LYS+  38   4.91 +/- 0.15  11.180% * 23.9780% (0.38   3.96  13.54) =   3.932%  kept
          HN    LYS+  38 - HG2   LYS+  99   7.84 +/- 1.46   1.888% *  0.0704% (0.22   0.02   0.02) =   0.002%
          HN    SER   37 - HG2   LYS+  99   9.47 +/- 1.27   0.408% *  0.0330% (0.10   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  31.83 +/- 1.58   0.000% *  0.1100% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  30.65 +/- 1.80   0.000% *  0.0718% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.54 +/- 1.00   0.000% *  0.0300% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  27.45 +/- 1.76   0.000% *  0.0196% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.776, support = 5.67, residual support = 208.4:
          HN    LYS+  38 - HG3   LYS+  38   4.10 +/- 0.16  83.518% * 73.1945% (0.80   5.75 220.62) =  94.083%  kept
          HN    SER   37 - HG3   LYS+  38   5.51 +/- 0.24  14.468% * 26.5684% (0.38   4.45  13.54) =   5.916%  kept
          HN    LYS+  38 - HG3   LYS+  99   8.70 +/- 1.32   1.575% *  0.0266% (0.08   0.02   0.02) =   0.001%
          HN    SER   37 - HG3   LYS+  99  10.37 +/- 1.17   0.437% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.01 +/- 2.43   0.000% *  0.1085% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  30.99 +/- 2.01   0.000% *  0.0708% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.92 +/- 1.23   0.001% *  0.0113% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  27.67 +/- 1.93   0.001% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.9, residual support = 39.6:
      O   HN    THR   39 - HA    THR   39   2.80 +/- 0.07  95.719% * 95.3086% (0.97  10.0   3.91  39.72) =  99.814%  kept
          HN    LYS+ 102 - HA    ILE  103   4.79 +/- 0.20   3.974% *  4.2673% (0.24   1.0   3.60  22.16) =   0.186%
          HN    GLU-  36 - HA    THR   39   8.20 +/- 0.71   0.215% *  0.0886% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.76 +/- 1.08   0.067% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.60 +/- 0.68   0.012% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.72 +/- 0.91   0.005% *  0.0293% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.83 +/- 0.85   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  18.43 +/- 2.61   0.002% *  0.0320% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.72 +/- 1.29   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  25.68 +/- 1.48   0.000% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  21.31 +/- 1.40   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.98 +/- 1.12   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 24.2:
      O   HN    LEU   40 - HA    THR   39   2.73 +/- 0.29  98.919% * 99.8247% (0.57  10.0   4.03  24.15) =  99.999%  kept
          HN    GLY  101 - HA    ILE  103   6.21 +/- 0.22   0.879% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.44 +/- 1.07   0.171% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.73 +/- 0.59   0.031% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.91, residual support = 39.7:
      O   HN    THR   39 - HB    THR   39   2.68 +/- 0.41  99.669% * 99.6727% (0.97  10.0   3.91  39.72) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   7.32 +/- 0.43   0.292% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  10.98 +/- 1.35   0.033% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  15.00 +/- 1.09   0.005% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  24.82 +/- 1.90   0.000% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  27.19 +/- 1.50   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 24.2:
          HN    LEU   40 - HB    THR   39   3.24 +/- 0.61  99.686% * 99.9089% (0.98   3.92  24.15) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.38 +/- 1.32   0.314% *  0.0911% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.214, residual support = 0.214:
          HN    LEU   71 - QG2   THR   39   3.05 +/- 1.05  99.481% * 54.0362% (0.60   0.21   0.21) =  99.977%  kept
          HN    GLU- 114 - QB    ALA   91  14.08 +/- 1.81   0.101% *  3.4061% (0.40   0.02   0.02) =   0.006%
          HN    PHE   60 - QB    ALA   91  11.66 +/- 1.57   0.181% *  1.1853% (0.14   0.02   0.02) =   0.004%
          HN    GLN  116 - QB    ALA   91  14.80 +/- 1.87   0.073% *  2.9025% (0.34   0.02   0.02) =   0.004%
          HN    THR  118 - QG2   THR   39  15.95 +/- 0.92   0.020% *  4.1662% (0.49   0.02   0.02) =   0.002%
          HN    LEU   71 - QG2   THR   23  15.53 +/- 0.68   0.029% *  2.8365% (0.33   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   THR   39  15.04 +/- 0.93   0.031% *  2.5101% (0.30   0.02   0.02) =   0.001%
          HN    THR  118 - QB    ALA   91  15.70 +/- 1.43   0.029% *  1.9674% (0.23   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  18.27 +/- 0.89   0.009% *  6.1466% (0.72   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   39  20.27 +/- 1.02   0.006% *  7.2131% (0.85   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  17.51 +/- 0.94   0.019% *  1.4085% (0.17   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  19.30 +/- 0.91   0.011% *  2.3870% (0.28   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  23.27 +/- 0.97   0.003% *  3.4491% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  23.74 +/- 1.29   0.003% *  4.0476% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  22.38 +/- 1.04   0.004% *  2.3378% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.29 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 = 3.83, residual support = 24.2:
          HN    LEU   40 - QG2   THR   39   2.38 +/- 0.56  99.998% * 99.4637% (0.66   3.83  24.15) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  17.26 +/- 0.87   0.001% *  0.2912% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  20.99 +/- 1.08   0.001% *  0.2451% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.594, support = 3.62, residual support = 15.9:
      O   HN    ALA   91 - QB    ALA   91   2.50 +/- 0.28  65.473% * 88.7021% (0.61  10.0   3.62  14.57) =  94.707%  kept
          HN    THR   39 - QG2   THR   39   3.05 +/- 0.59  31.173% * 10.4112% (0.38   1.0   3.77  39.72) =   5.293%  kept
          HN    TRP   27 - QG2   THR   23   4.55 +/- 0.84   3.053% *  0.0142% (0.10   1.0   0.02   0.82) =   0.001%
          HN    GLU-  36 - QG2   THR   39   6.97 +/- 1.11   0.199% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   91   9.15 +/- 0.80   0.028% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  12.87 +/- 1.88   0.006% *  0.0769% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.37 +/- 1.09   0.030% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.72 +/- 1.48   0.008% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.57 +/- 1.22   0.004% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  11.19 +/- 2.31   0.014% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  15.89 +/- 1.29   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.60 +/- 0.79   0.002% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  14.40 +/- 1.69   0.002% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.14 +/- 2.97   0.005% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  20.54 +/- 1.27   0.000% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.27 +/- 1.23   0.000% *  0.1171% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.38 +/- 1.21   0.001% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  21.08 +/- 2.07   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.07 +/- 0.96   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.29 +/- 1.08   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  17.33 +/- 1.08   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.55 +/- 1.12   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  22.77 +/- 1.83   0.000% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.39 +/- 1.59   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   3.05 +/- 0.58  97.245% * 96.9895% (0.87   3.55  14.21) =  99.986%  kept
          HN    THR   46 - QB    ALA   91   6.88 +/- 1.14   1.896% *  0.6169% (0.98   0.02   0.02) =   0.012%
          HN    LYS+ 112 - QB    ALA   91  12.35 +/- 1.95   0.201% *  0.2147% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   8.23 +/- 0.63   0.404% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.02 +/- 0.78   0.072% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  13.29 +/- 0.86   0.023% *  0.5460% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.27 +/- 0.94   0.122% *  0.0649% (0.10   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.65 +/- 0.65   0.006% *  0.2913% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  16.16 +/- 1.20   0.008% *  0.1564% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  14.64 +/- 1.65   0.018% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  20.34 +/- 1.15   0.002% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.63 +/- 0.95   0.001% *  0.1014% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  32.87 +/- 1.65   0.000% *  0.3311% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  24.05 +/- 2.61   0.001% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.40 +/- 1.09   0.001% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.654, support = 5.23, residual support = 82.9:
          HA    LEU   40 - QD2   LEU   40   2.36 +/- 0.35  63.450% * 63.0671% (0.61   6.09 105.90) =  75.628%  kept
          HA    LYS+  99 - QD2   LEU   40   2.89 +/- 0.76  36.460% * 35.3680% (0.80   2.59  11.53) =  24.371%  kept
          HA    ASN   35 - QD2   LEU   40   8.41 +/- 0.91   0.046% *  0.3155% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  10.05 +/- 2.71   0.034% *  0.3387% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.85 +/- 1.15   0.007% *  0.1405% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  14.76 +/- 0.87   0.001% *  0.3233% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.95 +/- 0.57   0.001% *  0.1532% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.18 +/- 1.21   0.001% *  0.1405% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.12 +/- 0.85   0.001% *  0.1532% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 4.54, residual support = 105.2:
          HA    LEU   40 - QD1   LEU   40   3.89 +/- 0.20  75.197% * 95.3571% (0.99   4.57 105.90) =  99.268%  kept
          HA    LYS+  99 - QD1   LEU   40   5.09 +/- 0.84  21.386% *  2.4320% (0.31   0.37  11.53) =   0.720%  kept
          HA    LEU  123 - QD1   LEU   40   8.17 +/- 2.76   2.432% *  0.2554% (0.61   0.02   0.02) =   0.009%
          HA    GLU-  15 - QD1   LEU   40  10.80 +/- 0.91   0.187% *  0.3776% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.15 +/- 0.98   0.305% *  0.1888% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.59 +/- 0.73   0.207% *  0.1300% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  11.07 +/- 0.49   0.147% *  0.1300% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.50 +/- 0.86   0.047% *  0.3887% (0.92   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.75 +/- 1.04   0.045% *  0.2049% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.30 +/- 0.84   0.022% *  0.3776% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.69 +/- 0.46   0.026% *  0.1580% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.683, support = 0.589, residual support = 0.958:
        T HB3   HIS  122 - QD1   LEU   40   4.82 +/- 2.73  69.723% * 96.2156% (0.69 10.00   0.59   0.97) =  98.747%  kept
          QE    LYS+ 121 - QD1   LEU   40   6.88 +/- 2.65  26.474% *  3.2040% (0.34  1.00   0.40   0.02) =   1.249%  kept
          QE    LYS+  74 - QD1   LEU   40  10.22 +/- 0.85   3.578% *  0.0829% (0.18  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  78 - QD1   LEU   40  20.34 +/- 0.73   0.049% *  0.4244% (0.90  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD1   LEU   40  16.65 +/- 0.72   0.176% *  0.0730% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 1 structures by 0.55 A, kept.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD1   LEU   40   8.93 +/- 1.11  48.219% * 23.0961% (0.84   0.02   0.02) =  45.102%  kept
          HE21  GLN   30 - QD1   LEU   40   9.49 +/- 0.89  34.827% * 27.6510% (1.00   0.02   0.02) =  39.000%  kept
          HD1   TRP   27 - QD1   LEU   40  10.71 +/- 0.83  16.632% * 23.0961% (0.84   0.02   0.02) =  15.557%  kept
          HH2   TRP   49 - QD1   LEU   40  21.20 +/- 1.95   0.322% * 26.1568% (0.95   0.02   0.02) =   0.341%
    Distance limit 3.73 A violated in 20 structures by 4.04 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.911, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QD2   LEU   40   8.86 +/- 1.36  42.900% * 27.6510% (1.00   0.02   0.02) =  47.339%  kept
          HD1   TRP   27 - QD2   LEU   40   9.22 +/- 0.95  31.831% * 23.0961% (0.84   0.02   0.02) =  29.338%  kept
          QD    PHE   59 - QD2   LEU   40   9.98 +/- 1.02  25.002% * 23.0961% (0.84   0.02   0.02) =  23.044%  kept
          HH2   TRP   49 - QD2   LEU   40  21.06 +/- 1.86   0.267% * 26.1568% (0.95   0.02   0.02) =   0.279%
    Distance limit 3.54 A violated in 20 structures by 3.95 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.74, residual support = 20.8:
          HN    VAL   41 - QD2   LEU   40   2.21 +/- 0.51 100.000% *100.0000% (0.73   4.74  20.83) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.78, residual support = 10.6:
          HN    LEU   98 - QD2   LEU   40   2.41 +/- 0.51 100.000% *100.0000% (0.97   4.78  10.58) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.93, residual support = 105.9:
      O   HN    LEU   40 - HB3   LEU   40   2.76 +/- 0.34  99.552% * 99.9683% (0.98  10.0   4.93 105.90) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.43 +/- 1.69   0.446% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.38 +/- 0.61   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.39 +/- 1.26   0.001% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.73, residual support = 105.9:
      O   HN    LEU   40 - HB2   LEU   40   2.53 +/- 0.36  99.858% * 99.9908% (0.76  10.0   4.73 105.90) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   8.39 +/- 1.05   0.142% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 35.8:
          QG2   VAL   70 - HB2   LEU   40   2.75 +/- 0.61  86.302% * 99.9538% (0.80   3.99  35.81) =  99.993%  kept
          QG2   VAL   70 - HB2   LEU   67   4.39 +/- 0.98  13.698% *  0.0462% (0.07   0.02   0.43) =   0.007%
    Distance limit 3.49 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 = 35.8:
        T QG2   VAL   70 - HB3   LEU   40   2.30 +/- 0.70  99.987% * 99.8828% (0.98 10.00   3.99  35.81) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.55 +/- 0.93   0.013% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.199, support = 5.13, residual support = 102.1:
      O T HA    LEU   40 - HG    LEU   40   3.06 +/- 0.33  73.316% * 70.0793% (0.18  10.0 10.00   5.30 105.90) =  96.127%  kept
          HA    LYS+  99 - HG    LEU   40   4.55 +/- 0.93  13.295% *  9.5465% (0.98   1.0  1.00   0.49  11.53) =   2.375%  kept
          HA    ASP- 113 - HG    LEU  115   5.50 +/- 1.44   6.509% * 12.0900% (0.53   1.0  1.00   1.13   0.02) =   1.472%  kept
          HA    ILE   56 - HG    LEU  115   5.80 +/- 1.04   4.821% *  0.2010% (0.50   1.0  1.00   0.02   0.50) =   0.018%
        T HA    ASN   35 - HG    LEU   40  10.39 +/- 1.19   0.068% *  3.5887% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HA    PHE   59 - HG    LEU  115   6.65 +/- 0.94   1.474% *  0.0790% (0.20   1.0  1.00   0.02  28.15) =   0.002%
          HA    LEU  123 - HG    LEU   40  11.62 +/- 3.56   0.234% *  0.3058% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU   73  10.65 +/- 0.95   0.063% *  0.0731% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.01 +/- 0.92   0.153% *  0.0131% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.79 +/- 0.99   0.011% *  0.1771% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  12.10 +/- 1.23   0.026% *  0.0669% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.46 +/- 1.50   0.012% *  0.1365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  17.93 +/- 1.51   0.003% *  0.3471% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.91 +/- 1.27   0.002% *  0.4057% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.97 +/- 1.60   0.000% *  2.0777% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  19.75 +/- 1.24   0.001% *  0.3694% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.65 +/- 1.07   0.001% *  0.2271% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.48 +/- 0.89   0.003% *  0.0647% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.29 +/- 2.35   0.003% *  0.0570% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.57 +/- 0.86   0.005% *  0.0254% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  22.82 +/- 1.08   0.001% *  0.0689% (0.17   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.88, residual support = 35.8:
        T QG2   VAL   70 - HG    LEU   40   3.01 +/- 0.89  98.157% * 99.2404% (0.98 10.00   5.88  35.81) =  99.996%  kept
        T QG2   VAL   70 - HG    LEU   73   6.67 +/- 0.68   1.815% *  0.1850% (0.18 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   70 - HG    LEU  115  13.61 +/- 1.46   0.027% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.8:
          QG2   VAL   70 - QD1   LEU   40   2.03 +/- 0.50 100.000% *100.0000% (0.80   3.47  35.81) = 100.000%  kept
    Distance limit 2.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.48, residual support = 35.8:
          QG2   VAL   70 - QD2   LEU   40   3.23 +/- 0.41 100.000% *100.0000% (0.53   4.48  35.81) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40   9.05 +/- 1.09 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.56 A violated in 20 structures by 6.49 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.724, support = 4.69, residual support = 105.9:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  75.527% * 41.4375% (0.65  10.0 10.00   4.23 105.90) =  69.180%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.64 +/- 0.36  24.271% * 57.4464% (0.90  10.0  1.00   5.70 105.90) =  30.820%  kept
        T HG    LEU   73 - QD2   LEU   40   7.38 +/- 0.85   0.059% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU   40   7.79 +/- 1.57   0.086% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.39 +/- 0.92   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.08 +/- 1.31   0.041% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.07 +/- 1.33   0.009% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.04 +/- 1.02   0.003% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.16 +/- 0.45   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 = 0.236, support = 2.07, residual support = 11.5:
        T HB3   LYS+  99 - QD2   LEU   40   2.90 +/- 0.62  79.196% * 43.9969% (0.22 10.00   1.97  11.53) =  75.395%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.77 +/- 0.49  20.410% * 55.7136% (0.28 10.00   2.36  11.53) =  24.605%  kept
          HB    VAL   43 - QD2   LEU   40   7.48 +/- 0.57   0.364% *  0.0752% (0.38  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD2   LEU   40  11.49 +/- 0.79   0.027% *  0.0309% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  17.76 +/- 1.16   0.002% *  0.1215% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  21.28 +/- 1.32   0.001% *  0.0618% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.3, support = 0.02, residual support = 0.853:
          HB2   HIS  122 - QD2   LEU   40   6.32 +/- 2.69  82.017% * 19.5836% (0.31   0.02   0.97) =  87.698%  kept
          HA    LEU   63 - QD2   LEU   40   8.88 +/- 0.87  16.909% * 11.1120% (0.18   0.02   0.02) =  10.259%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.38 +/- 0.70   0.624% * 35.9222% (0.57   0.02   0.02) =   1.223%  kept
          HB2   HIS   22 - QD2   LEU   40  17.18 +/- 1.20   0.450% * 33.3822% (0.53   0.02   0.02) =   0.820%  kept
    Distance limit 3.50 A violated in 17 structures by 2.26 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 = 11.5:
          QE    LYS+  99 - QD2   LEU   40   3.36 +/- 0.62  98.794% * 98.4941% (0.69   3.66  11.53) =  99.991%  kept
          QE    LYS+  38 - QD2   LEU   40   8.89 +/- 1.00   0.726% *  0.7229% (0.92   0.02   0.02) =   0.005%
          QE    LYS+ 102 - QD2   LEU   40   8.65 +/- 0.59   0.480% *  0.7831% (1.00   0.02   0.02) =   0.004%
    Distance limit 3.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.836, support = 1.12, residual support = 1.45:
        T HB3   PHE   97 - QD2   LEU   40   3.47 +/- 1.28  92.454% * 90.6406% (0.84 10.00   1.13   1.46) =  99.245%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.08 +/- 0.82   7.145% *  8.9143% (0.99  1.00   0.93   0.02) =   0.754%  kept
          QG    GLN   32 - QD2   LEU   40  11.45 +/- 0.92   0.248% *  0.0658% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.50 +/- 0.83   0.068% *  0.1823% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.48 +/- 1.25   0.038% *  0.1247% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.53 +/- 0.90   0.047% *  0.0723% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 2 structures by 0.19 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 105.9:
      O T HB2   LEU   40 - QD1   LEU   40   2.48 +/- 0.31  97.974% * 99.2435% (0.84  10.0 10.00   4.44 105.90) =  99.990%  kept
        T HB2   LEU   67 - QD1   LEU   40   5.52 +/- 1.32   1.884% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HB3   MET   96 - QD1   LEU   40   8.58 +/- 0.83   0.094% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.39 +/- 1.24   0.043% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.21 +/- 1.09   0.005% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.18 +/- 0.97   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 105.9:
      O   HB2   LEU   40 - QD2   LEU   40   2.92 +/- 0.44  99.286% * 96.6350% (0.34  10.0  1.00   5.44 105.90) =  99.983%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.58 +/- 1.17   0.637% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.017%
          HB    VAL   18 - QD2   LEU   40  11.22 +/- 1.37   0.054% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.00 +/- 0.74   0.018% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  16.95 +/- 0.77   0.003% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  19.96 +/- 0.71   0.001% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.48, residual support = 105.9:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  59.742% * 41.4524% (0.65  10.0  1.00   4.30 105.90) =  53.067%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.29 +/- 0.23  38.094% * 57.4671% (0.90  10.0 10.00   4.68 105.90) =  46.910%  kept
        T HG    LEU   67 - QD1   LEU   40   5.74 +/- 1.87   2.114% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.022%
        T HB3   LEU  115 - QD1   LEU   40  11.40 +/- 0.53   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.01 +/- 1.25   0.012% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.15 +/- 0.99   0.024% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.01 +/- 1.33   0.008% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.47 +/- 1.10   0.002% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.89 +/- 0.66   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 4.44, residual support = 104.4:
      O T QD1   LEU   40 - HB2   LEU   40   2.48 +/- 0.31  70.360% * 92.1745% (1.00  10.0 10.00   4.44 105.90) =  96.822%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.96 +/- 0.36  27.912% *  7.6201% (0.08  10.0  1.00   4.39  58.23) =   3.175%  kept
        T QD1   LEU   40 - HB2   LEU   67   5.52 +/- 1.32   1.240% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB2   LEU   40   6.65 +/- 1.26   0.482% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  16.54 +/- 1.67   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  16.78 +/- 2.36   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 105.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.29 +/- 0.23  99.483% * 99.7412% (1.00  10.0 10.00   4.68 105.90) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   6.43 +/- 1.40   0.439% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  11.40 +/- 0.53   0.008% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.50 +/- 0.80   0.064% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.17 +/- 1.46   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  12.87 +/- 1.73   0.005% *  0.0105% (0.11   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 = 4.23, residual support = 105.9:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  96.475% * 96.1741% (0.87  10.0 10.00   4.23 105.90) =  99.995%  kept
        T QD1   LEU   67 - HG    LEU   40   6.65 +/- 2.02   0.450% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE  119 - HG    LEU  115   4.71 +/- 0.68   1.326% *  0.0112% (0.10   1.0  1.00   0.02   8.89) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   7.38 +/- 0.85   0.075% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   6.38 +/- 1.25   1.341% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.37 +/- 1.37   0.021% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.80 +/- 1.23   0.167% *  0.0194% (0.18   1.0  1.00   0.02   1.44) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.43 +/- 0.86   0.031% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  12.11 +/- 2.03   0.004% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.44 +/- 0.82   0.071% *  0.0179% (0.16   1.0  1.00   0.02   0.39) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.39 +/- 0.92   0.002% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.06 +/- 1.36   0.001% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.23 +/- 0.64   0.016% *  0.0125% (0.11   1.0  1.00   0.02  40.74) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.00 +/- 2.00   0.009% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  17.10 +/- 1.90   0.000% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.64 +/- 1.36   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.18 +/- 0.61   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.64 +/- 1.06   0.004% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  17.11 +/- 2.47   0.001% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.28 +/- 1.43   0.002% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.27 +/- 2.20   0.001% *  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 = 0.867, support = 4.0, residual support = 74.7:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.05  86.218% * 97.4050% (0.87  10.0 10.00   4.00  74.75) =  99.971%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.22 +/- 0.94   4.695% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU   98 - QG1   VAL   41   3.66 +/- 0.78   8.357% *  0.0771% (0.69   1.0  1.00   0.02  26.28) =   0.008%
        T QD1   LEU   63 - QG2   VAL   18   6.54 +/- 1.17   0.246% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   41 - QG2   VAL   18   8.30 +/- 0.89   0.024% *  0.7444% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.03 +/- 0.59   0.062% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.12 +/- 0.99   0.097% *  0.0770% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.30 +/- 0.58   0.136% *  0.0414% (0.04   1.0 10.00   0.02   6.58) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.20 +/- 1.06   0.014% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.52 +/- 0.98   0.070% *  0.0523% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   8.65 +/- 0.91   0.020% *  0.1007% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.56 +/- 1.00   0.006% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  12.04 +/- 2.41   0.005% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.47 +/- 1.25   0.014% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  13.87 +/- 3.39   0.002% *  0.0771% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.16 +/- 0.92   0.008% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.55 +/- 1.08   0.026% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  18.64 +/- 3.44   0.000% *  0.0414% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.44, residual support = 9.27:
          QB    ALA   34 - QG2   VAL   41   2.98 +/- 0.49  99.259% * 83.5826% (0.18   1.44   9.27) =  99.981%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.81 +/- 0.87   0.408% *  1.3118% (0.20   0.02   0.02) =   0.006%
          QG2   THR   77 - QG2   VAL   41  11.05 +/- 0.68   0.063% *  6.2704% (0.95   0.02   0.02) =   0.005%
          QG2   THR   23 - QG2   VAL   41  10.04 +/- 0.78   0.118% *  2.9718% (0.45   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QG2   VAL   41   9.30 +/- 0.84   0.146% *  1.8430% (0.28   0.02   0.02) =   0.003%
          QB    ALA   88 - QG2   VAL   41  16.40 +/- 1.09   0.006% *  4.0204% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.82, residual support = 26.0:
        T QB    LEU   98 - QG2   VAL   41   3.16 +/- 0.62  54.321% * 94.7872% (0.34 10.00   2.84  26.28) =  98.996%  kept
          HG    LEU   73 - QG2   VAL   41   3.61 +/- 1.34  44.879% *  1.1586% (0.31  1.00   0.27   0.02) =   1.000%  kept
          HG12  ILE   19 - QG2   VAL   41   8.57 +/- 1.32   0.533% *  0.2773% (1.00  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   80 - QG2   VAL   41  14.06 +/- 2.77   0.011% *  2.2251% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   VAL   41   9.65 +/- 0.71   0.063% *  0.1909% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41   9.72 +/- 0.97   0.061% *  0.1685% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  14.16 +/- 3.76   0.016% *  0.2682% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.84 +/- 1.27   0.061% *  0.0619% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  12.78 +/- 2.14   0.020% *  0.1798% (0.65  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  12.19 +/- 0.64   0.015% *  0.2321% (0.84  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.19 +/- 0.99   0.012% *  0.1353% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  14.63 +/- 0.97   0.005% *  0.2724% (0.98  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.77 +/- 1.21   0.005% *  0.0429% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.20 +/- 0.63 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.95 A violated in 20 structures by 8.24 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 74.8:
      O   HN    VAL   41 - HB    VAL   41   2.97 +/- 0.44 100.000% *100.0000% (0.47  10.0   4.37  74.75) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.969, support = 2.83, residual support = 26.0:
          HN    LEU   98 - QG1   VAL   41   4.43 +/- 0.79  64.409% * 97.2363% (0.98   2.86  26.28) =  98.748%  kept
          HN    LEU   98 - QD2   LEU  104   5.19 +/- 1.02  35.350% *  2.2432% (0.05   1.23   6.58) =   1.250%  kept
          HN    LEU   98 - QG2   VAL   18  11.43 +/- 1.00   0.241% *  0.5205% (0.75   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.30 +/- 1.32  49.375% * 34.1212% (0.66   0.02   0.02) =  65.619%  kept
          QE    PHE   59 - HB    VAL   41  13.82 +/- 2.80  34.382% * 12.0603% (0.23   0.02   0.02) =  16.151%  kept
          HN    LYS+  66 - HB    VAL   41  15.28 +/- 0.59  14.021% * 29.5320% (0.57   0.02   0.02) =  16.128%  kept
          HN    LYS+  81 - HB    VAL   41  21.79 +/- 2.71   2.222% * 24.2865% (0.47   0.02   0.02) =   2.102%  kept
    Distance limit 3.62 A violated in 20 structures by 7.15 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.2, residual support = 24.5:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.01  99.440% * 99.8070% (0.98  10.0   5.20  24.50) =  99.999%  kept
          HN    LEU   73 - HA    VAL   41   5.48 +/- 0.62   0.500% *  0.0998% (0.98   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HA    VAL   41   7.94 +/- 0.86   0.057% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.22 +/- 0.81   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.05, residual support = 39.0:
      O   HN    VAL   43 - HA    VAL   42   2.23 +/- 0.05 100.000% * 99.9765% (0.90  10.0   5.05  39.00) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.13 +/- 0.99   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.34, support = 0.0199, residual support = 0.0199:
          QD2   LEU   31 - QG2   VAL   41   2.57 +/- 0.79  99.845% * 16.0745% (0.34   0.02   0.02) =  99.617%  kept
          QG2   VAL   83 - QG2   VAL   41  10.31 +/- 1.49   0.116% * 37.7342% (0.80   0.02   0.02) =   0.272%
          QD1   ILE   89 - QG2   VAL   41  11.66 +/- 0.93   0.039% * 46.1912% (0.98   0.02   0.02) =   0.111%
    Distance limit 2.94 A violated in 2 structures by 0.20 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 = 0.802, support = 0.0198, residual support = 22.2:
        T HB    VAL   41 - HB    VAL   42   6.28 +/- 0.30  38.556% * 26.8420% (0.84 10.00   0.02  24.50) =  90.348%  kept
          HB2   LEU   71 - HB    VAL   42   6.34 +/- 1.16  39.623% *  1.3538% (0.42  1.00   0.02   2.25) =   4.683%  kept
        T QB    LYS+ 102 - HB    VAL   42  11.96 +/- 0.83   0.923% * 17.9927% (0.56 10.00   0.02   0.02) =   1.450%  kept
          QB    LYS+  66 - HB    VAL   42   9.58 +/- 1.13   4.423% *  2.7752% (0.87  1.00   0.02   0.02) =   1.071%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.70 +/- 2.47   5.914% *  1.7026% (0.53  1.00   0.02   0.02) =   0.879%  kept
          HG12  ILE  103 - HB    VAL   42  10.28 +/- 1.03   2.522% *  2.4126% (0.75  1.00   0.02   0.02) =   0.531%  kept
          HB3   PRO   52 - HB2   LYS+ 112   9.98 +/- 1.35   3.786% *  1.1905% (0.37  1.00   0.02   0.02) =   0.393%
          QB    LYS+  65 - HB    VAL   42  10.82 +/- 0.70   1.764% *  1.4633% (0.46  1.00   0.02   0.02) =   0.225%
          HG    LEU  123 - HB    VAL   42  13.07 +/- 2.62   1.287% *  1.6870% (0.53  1.00   0.02   0.02) =   0.190%
          HG2   PRO   93 - HB    VAL   42  14.52 +/- 1.50   0.419% *  2.4126% (0.75  1.00   0.02   0.02) =   0.088%
          QB    LYS+  66 - HB2   LYS+ 112  14.97 +/- 1.35   0.233% *  1.9585% (0.61  1.00   0.02   0.02) =   0.040%
          HG    LEU  123 - HB2   LYS+ 112  15.23 +/- 1.65   0.227% *  1.1905% (0.37  1.00   0.02   0.02) =   0.024%
        T HB    VAL   41 - HB2   LYS+ 112  23.76 +/- 1.29   0.014% * 18.9430% (0.59 10.00   0.02   0.02) =   0.023%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.68 +/- 1.02   0.019% * 12.6979% (0.40 10.00   0.02   0.02) =   0.022%
          QB    LYS+  65 - HB2   LYS+ 112  15.98 +/- 1.57   0.170% *  1.0327% (0.32  1.00   0.02   0.02) =   0.015%
          HB3   PRO   52 - HB    VAL   42  18.28 +/- 1.39   0.086% *  1.6870% (0.53  1.00   0.02   0.02) =   0.013%
          HG12  ILE  103 - HB2   LYS+ 112  21.92 +/- 1.15   0.023% *  1.7026% (0.53  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB2   LYS+ 112  24.44 +/- 2.62   0.011% *  0.9554% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 18 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.23, residual support = 85.7:
          HN    VAL   42 - QG2   VAL   42   2.71 +/- 0.44  88.557% * 77.3776% (0.64   5.36  88.69) =  96.566%  kept
          HN    LEU   73 - QG2   VAL   42   4.48 +/- 1.37  10.936% * 22.2706% (0.64   1.54   1.21) =   3.432%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.40 +/- 0.90   0.226% *  0.2886% (0.64   0.02   0.02) =   0.001%
          HN    ILE   19 - QG2   VAL   42   7.27 +/- 1.40   0.281% *  0.0631% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.15, residual support = 39.0:
          HN    VAL   43 - QG2   VAL   42   3.86 +/- 0.30 100.000% *100.0000% (0.72   5.15  39.00) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.7:
      O T HA    VAL   42 - QG1   VAL   42   2.46 +/- 0.17  92.130% * 96.7288% (0.97  10.0 10.00   4.00  88.69) =  99.996%  kept
          HA    THR   46 - QB    ALA   47   3.86 +/- 0.06   6.457% *  0.0439% (0.44   1.0  1.00   0.02  12.68) =   0.003%
          HA    GLN   90 - QB    ALA   47   5.81 +/- 1.11   1.215% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QG1   VAL   42   9.41 +/- 0.76   0.036% *  0.5867% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47   9.30 +/- 0.90   0.037% *  0.4729% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.32 +/- 0.67   0.003% *  0.8353% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  13.63 +/- 0.95   0.004% *  0.5476% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.53 +/- 0.33   0.030% *  0.0509% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.27 +/- 2.24   0.065% *  0.0232% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.35 +/- 1.11   0.001% *  0.5067% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  11.10 +/- 1.93   0.016% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  14.24 +/- 0.33   0.003% *  0.0587% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.11 +/- 0.71   0.002% *  0.0363% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.74 +/- 0.58   0.000% *  0.0507% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.892, support = 1.61, residual support = 4.46:
          QD    PHE   60 - QG1   VAL   42   4.95 +/- 1.26  47.059% * 89.2323% (0.93   1.69   4.76) =  93.651%  kept
          QE    PHE   59 - QG1   VAL   42   5.99 +/- 2.52  42.899% *  6.4331% (0.33   0.34   0.02) =   6.155%  kept
          QD    PHE   60 - QB    ALA   47   8.02 +/- 1.00   5.548% *  0.9112% (0.80   0.02   0.02) =   0.113%
          HN    LYS+  66 - QG1   VAL   42   8.28 +/- 0.73   3.216% *  0.9132% (0.81   0.02   0.02) =   0.065%
          HN    LYS+  81 - QB    ALA   47  11.41 +/- 1.60   0.795% *  0.6486% (0.57   0.02   0.02) =   0.011%
          QE    PHE   59 - QB    ALA   47  11.38 +/- 1.45   0.401% *  0.3221% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG1   VAL   42  17.14 +/- 1.42   0.045% *  0.7510% (0.66   0.02   0.02) =   0.001%
          HN    LYS+  66 - QB    ALA   47  16.65 +/- 0.72   0.037% *  0.7886% (0.70   0.02   0.02) =   0.001%
    Distance limit 2.97 A violated in 8 structures by 1.15 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 5.03, residual support = 80.3:
          HN    VAL   42 - QG1   VAL   42   3.72 +/- 0.18  59.919% * 84.4293% (0.77   5.46  88.69) =  90.423%  kept
          HN    LEU   73 - QG1   VAL   42   4.10 +/- 0.61  37.336% * 14.3342% (0.77   0.93   1.21) =   9.566%  kept
          HN    LYS+ 106 - QG1   VAL   42   7.70 +/- 0.89   1.653% *  0.3093% (0.77   0.02   0.02) =   0.009%
          HN    ILE   19 - QG1   VAL   42   7.37 +/- 0.78   1.011% *  0.0676% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.10 +/- 0.35   0.034% *  0.2671% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.22 +/- 1.34   0.017% *  0.2671% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.30 +/- 0.50   0.013% *  0.2671% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.76 +/- 0.75   0.018% *  0.0584% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.15, residual support = 39.0:
          HN    VAL   43 - QG1   VAL   42   2.51 +/- 0.27  99.977% * 99.3967% (0.40   5.15  39.00) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  12.74 +/- 0.70   0.007% *  0.3333% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  12.13 +/- 0.94   0.010% *  0.1449% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.30 +/- 0.94   0.006% *  0.1251% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.32 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   7.30 +/- 0.75  99.431% * 53.6601% (0.43   0.02   0.02) =  99.508%  kept
          HN    LEU  104 - QB    ALA   47  18.17 +/- 1.15   0.569% * 46.3399% (0.37   0.02   0.02) =   0.492%
    Distance limit 3.70 A violated in 20 structures by 3.60 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.75, residual support = 14.7:
          HN    TRP   49 - QB    ALA   47   2.66 +/- 0.15  99.857% * 95.0856% (0.29   3.75  14.74) =  99.999%  kept
          HE22  GLN   30 - QG1   VAL   42   8.49 +/- 0.58   0.111% *  0.9130% (0.53   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG1   VAL   42  10.66 +/- 0.80   0.027% *  1.0502% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    ALA   47  16.88 +/- 0.85   0.002% *  1.1920% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.49 +/- 0.61   0.003% *  0.3881% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.84 +/- 0.89   0.000% *  1.3711% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.396, support = 2.33, residual support = 10.7:
      O   HN    ALA   47 - QB    ALA   47   2.30 +/- 0.09  74.138% * 93.4110% (0.39  10.0   2.36  10.89) =  97.704%  kept
          QD    PHE   95 - QG1   VAL   42   3.24 +/- 0.95  25.837% *  6.2982% (0.70   1.0   0.75   1.48) =   2.296%  kept
          QD    PHE   95 - QB    ALA   47   9.36 +/- 0.80   0.020% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.39 +/- 0.43   0.005% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.58, support = 3.28, residual support = 26.7:
          HB    VAL   42 - QG1   VAL   43   5.37 +/- 0.36   5.725% * 65.6988% (0.62  1.00   4.64  39.00) =  56.024%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.11 +/- 1.15  51.039% *  3.1487% (0.69 10.00   0.02   8.05) =  23.939%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.64 +/- 0.60   4.415% * 28.1157% (0.34  1.00   3.64  15.67) =  18.490%  kept
          HG    LEU   98 - QG1   VAL   43   4.78 +/- 1.48  37.376% *  0.2665% (0.58  1.00   0.02   0.02) =   1.484%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.35 +/- 0.85   0.505% *  0.3897% (0.85  1.00   0.02   0.02) =   0.029%
          HB3   PRO   93 - QG1   VAL   43  10.74 +/- 1.15   0.333% *  0.3299% (0.72  1.00   0.02   0.02) =   0.016%
          QB    ALA   84 - QG1   VAL   43  11.10 +/- 1.32   0.094% *  0.3149% (0.69  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QG1   VAL   43  10.75 +/- 1.02   0.095% *  0.2499% (0.54  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QG1   VAL   43  11.51 +/- 0.93   0.068% *  0.3299% (0.72  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG1   VAL   43   9.88 +/- 0.77   0.158% *  0.1146% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QG1   VAL   43  11.47 +/- 3.24   0.154% *  0.0815% (0.18  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  14.52 +/- 0.77   0.016% *  0.2830% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.30 +/- 1.35   0.012% *  0.2168% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.43 +/- 0.93   0.005% *  0.3574% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  17.02 +/- 1.13   0.006% *  0.1027% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.29, support = 1.75, residual support = 9.6:
        T HH2   TRP   27 - QG1   VAL   43   3.06 +/- 0.38  80.816% * 50.0672% (0.31 10.00   1.47   9.60) =  80.858%  kept
        T HZ3   TRP   27 - QG1   VAL   43   4.05 +/- 0.72  19.184% * 49.9328% (0.22 10.00   2.96   9.60) =  19.142%  kept
    Distance limit 2.91 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.21, residual support = 60.9:
          HN    VAL   43 - QG1   VAL   43   2.55 +/- 0.47 100.000% *100.0000% (0.80   5.21  60.89) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.383, support = 3.65, residual support = 15.7:
          HN    ASP-  44 - QG2   VAL   43   2.79 +/- 0.34  86.776% * 81.9472% (0.39   3.71  15.67) =  97.278%  kept
          HN    ASN   28 - QD2   LEU   31   4.29 +/- 0.82  12.156% * 16.3343% (0.18   1.58  18.24) =   2.716%  kept
          HN    ASN   28 - QG2   VAL   43   7.16 +/- 0.62   0.432% *  0.7206% (0.63   0.02   0.02) =   0.004%
          HN    GLU-  25 - QG2   VAL   43   8.46 +/- 0.81   0.149% *  0.4107% (0.36   0.02   0.02) =   0.001%
          HN    ASP-  44 - QD2   LEU   31   7.90 +/- 0.89   0.258% *  0.1268% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD2   LEU   31   7.89 +/- 0.79   0.212% *  0.1178% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  14.35 +/- 0.43   0.006% *  0.2663% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.44 +/- 1.14   0.011% *  0.0764% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.23, residual support = 60.9:
      O   HN    VAL   43 - HB    VAL   43   2.57 +/- 0.24 100.000% *100.0000% (0.87  10.0   4.23  60.89) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.30 +/- 0.47 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.46, residual support = 19.5:
        T QD    PHE   45 - HB3   ASP-  44   4.45 +/- 0.11 100.000% *100.0000% (0.80 10.00   4.46  19.47) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.69 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.79, residual support = 38.7:
      O   HN    ASP-  44 - HB3   ASP-  44   3.38 +/- 0.37  99.960% * 99.8560% (0.98  10.0   3.79  38.66) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  14.52 +/- 1.78   0.017% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  13.68 +/- 1.38   0.024% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.13, residual support = 6.14:
          HA    LYS+  74 - HB2   ASP-  44   3.61 +/- 0.52  99.823% * 92.4632% (0.92  1.00   2.13   6.14) =  99.986%  kept
        T HA    MET   92 - HB2   ASP-  44  11.39 +/- 0.97   0.177% *  7.5368% (0.80 10.00   0.02   0.02) =   0.014%
    Distance limit 3.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 38.7:
      O   HN    ASP-  44 - HB2   ASP-  44   2.59 +/- 0.18  99.987% * 99.8560% (0.98  10.0   3.13  38.66) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  14.08 +/- 1.02   0.005% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  12.92 +/- 0.82   0.008% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.505, support = 3.92, residual support = 29.6:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  19.625% * 81.9551% (0.80  10.0   3.81  38.66) =  52.755%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.31 +/- 0.03  80.359% * 17.9245% (0.18  10.0   4.04  19.47) =  47.245%  kept
          HN    ALA  110 - HA    ASP-  44  10.44 +/- 1.96   0.014% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  14.19 +/- 0.90   0.002% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.5:
          HA    PHE   95 - HA    ASP-  44   3.14 +/- 0.71 100.000% *100.0000% (0.87   2.00   4.50) = 100.000%  kept
    Distance limit 3.55 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   2.99 +/- 0.86  99.185% * 98.9931% (0.65 10.00   2.96  27.19) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45   9.97 +/- 0.62   0.231% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.00 +/- 1.35   0.425% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  13.46 +/- 0.73   0.026% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.38 +/- 1.06   0.048% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  12.39 +/- 0.49   0.057% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  17.99 +/- 0.88   0.005% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.97 +/- 1.24   0.013% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.55 +/- 0.86   0.003% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.24 +/- 0.72   0.002% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.44 +/- 1.28   0.003% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.93 +/- 0.97   0.002% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 2 structures by 0.16 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 9.35:
          QG2   THR   77 - HB2   PHE   45   4.04 +/- 0.63  94.614% * 94.3264% (0.45   1.83   9.36) =  99.936%  kept
          QG2   ILE   56 - HB2   PHE   45   7.13 +/- 1.33   4.691% *  1.0284% (0.45   0.02   0.02) =   0.054%
          QG2   THR   23 - HB2   PHE   45  11.97 +/- 1.12   0.312% *  2.1698% (0.95   0.02   0.02) =   0.008%
          QB    ALA   88 - HB2   PHE   45  11.01 +/- 0.50   0.312% *  0.3539% (0.15   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   PHE   45  14.67 +/- 0.69   0.067% *  1.4838% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.26 +/- 1.83   0.003% *  0.6377% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 5 structures by 0.46 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.994, support = 0.0199, residual support = 6.65:
        T QG2   ILE   89 - HB2   PHE   45   4.90 +/- 0.40  94.268% * 93.0844% (1.00 10.00   0.02   6.67) =  99.662%  kept
          QG1   VAL   83 - HB2   PHE   45   8.58 +/- 1.53   5.597% *  5.2817% (0.57  1.00   0.02   1.70) =   0.336%
          QD1   LEU  104 - HB2   PHE   45  15.09 +/- 0.93   0.135% *  1.6338% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 15 structures by 1.27 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 = 9.36:
          QG2   THR   77 - HB3   PHE   45   2.72 +/- 0.65  99.841% * 96.7442% (0.87   2.25   9.36) =  99.999%  kept
          QB    ALA   88 - HB3   PHE   45  10.19 +/- 0.43   0.077% *  0.9826% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   PHE   45  10.31 +/- 2.20   0.062% *  0.1962% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  14.11 +/- 1.32   0.014% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  17.01 +/- 0.87   0.003% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  21.22 +/- 1.00   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.79 +/- 1.21   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 6.67:
        T QG2   ILE   89 - HB3   PHE   45   3.93 +/- 0.25 100.000% *100.0000% (0.69 10.00   0.75   6.67) = 100.000%  kept
    Distance limit 3.50 A violated in 1 structures by 0.43 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.33, residual support = 80.7:
      O   QD    PHE   45 - HB2   PHE   45   2.70 +/- 0.05  99.994% * 99.6976% (0.65  10.0   4.33  80.71) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  14.99 +/- 1.37   0.004% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  18.67 +/- 1.71   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  20.60 +/- 1.22   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 = 80.7:
      O   HN    PHE   45 - HB2   PHE   45   2.35 +/- 0.09  99.590% * 99.8082% (0.73  10.0   3.68  80.71) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.11 +/- 0.41   0.361% *  0.0306% (0.22   1.0   0.02  19.47) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.21 +/- 1.88   0.046% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  14.14 +/- 1.26   0.003% *  0.0343% (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 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.04, residual support = 80.7:
      O   QD    PHE   45 - HB3   PHE   45   2.35 +/- 0.10  99.999% * 99.6976% (0.65  10.0   5.04  80.71) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.53 +/- 1.28   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.16 +/- 1.76   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  20.74 +/- 1.45   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 80.7:
      O   HN    PHE   45 - HB3   PHE   45   3.55 +/- 0.06  97.567% * 99.8082% (0.73  10.0   4.00  80.71) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.73 +/- 0.20   2.155% *  0.0306% (0.22   1.0   0.02  19.47) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.37 +/- 1.80   0.236% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  13.28 +/- 1.10   0.042% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.2, residual support = 3.94:
          HA    ASP-  76 - QG2   THR   46   2.37 +/- 0.66 100.000% *100.0000% (0.41   1.20   3.94) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.07 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   2.19 +/- 0.33  95.599% * 97.6986% (0.76   3.39  34.52) =  99.979%  kept
          HN    MET   92 - QG2   THR   46   7.03 +/- 1.96   4.230% *  0.4274% (0.57   0.02   0.02) =   0.019%
          HN    LYS+  74 - QG2   THR   46   7.04 +/- 0.81   0.169% *  0.7550% (1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  14.74 +/- 1.05   0.002% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  26.28 +/- 1.89   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.65 +/- 0.35  99.016% * 97.9520% (0.25   3.20  12.68) =  99.979%  kept
          QD    PHE   95 - QG2   THR   46   8.34 +/- 1.02   0.984% *  2.0480% (0.84   0.02   0.02) =   0.021%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.295, support = 0.655, residual support = 0.334:
          QB    CYS   50 - QG2   THR   46   5.46 +/- 0.86  19.732% * 75.9584% (0.31   0.99   0.56) =  58.025%  kept
          QE    LYS+  74 - QG2   THR   46   3.90 +/- 1.08  79.539% * 13.5920% (0.28   0.20   0.02) =  41.853%  kept
          HB2   PHE   72 - QG2   THR   46   9.76 +/- 1.07   0.562% *  4.9749% (1.00   0.02   0.02) =   0.108%
          HA    ALA   64 - QG2   THR   46  12.06 +/- 0.91   0.157% *  2.0498% (0.41   0.02   0.02) =   0.012%
          HB3   ASN   69 - QG2   THR   46  19.36 +/- 0.93   0.009% *  3.4249% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 3 structures by 0.43 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 = 9.65:
      O   HN    SER   48 - HA    SER   48   2.80 +/- 0.03  99.991% * 99.9333% (0.49  10.0   2.61   9.65) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.50 +/- 1.66   0.009% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  25.04 +/- 0.58   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 9.65:
      O   HN    SER   48 - QB    SER   48   2.24 +/- 0.18  99.993% * 99.9496% (0.95  10.0   2.61   9.65) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.02 +/- 1.37   0.007% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.93 +/- 1.06   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.0, residual support = 87.1:
      O   HN    TRP   49 - HB2   TRP   49   3.21 +/- 0.38  85.642% * 99.8654% (0.95  10.0   4.00  87.07) =  99.997%  kept
          HN    CYS   50 - HB2   TRP   49   4.44 +/- 0.18  14.358% *  0.0163% (0.15   1.0   0.02   2.91) =   0.003%
          HE22  GLN   30 - HB2   TRP   49  25.32 +/- 1.21   0.000% *  0.0975% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.71 +/- 1.35   0.000% *  0.0209% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.71, residual support = 87.1:
      O   HD1   TRP   49 - HB2   TRP   49   2.94 +/- 0.32  99.998% * 99.6923% (0.80  10.0   4.71  87.07) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  23.62 +/- 2.89   0.001% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.61 +/- 1.30   0.002% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.29 +/- 0.99   0.000% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.79 +/- 2.05   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.785, support = 3.99, residual support = 86.4:
      O   HN    TRP   49 - HB3   TRP   49   3.38 +/- 0.25  78.685% * 97.1169% (0.79  10.0   4.00  87.07) =  99.234%  kept
          HN    CYS   50 - HB3   TRP   49   4.26 +/- 0.26  21.314% *  2.7680% (0.13   1.0   3.49   2.91) =   0.766%  kept
          HE22  GLN   30 - HB3   TRP   49  25.47 +/- 1.08   0.000% *  0.0948% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.56 +/- 1.41   0.000% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 4.71, residual support = 87.1:
      O   HD1   TRP   49 - HB3   TRP   49   3.83 +/- 0.07  99.991% * 99.6923% (0.67  10.0   4.71  87.07) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  24.03 +/- 2.93   0.002% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  19.96 +/- 1.20   0.005% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.10 +/- 1.11   0.001% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.87 +/- 1.69   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 2.31:
          HB2   PRO   52 - HB3   TRP   49   9.01 +/- 0.96  98.823% * 45.9163% (0.72   0.02   2.33) =  99.263%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.33 +/- 1.22   0.638% * 45.9163% (0.72   0.02   0.02) =   0.641%  kept
          HG2   MET   96 - HB3   TRP   49  22.65 +/- 2.26   0.539% *  8.1674% (0.13   0.02   0.02) =   0.096%
    Distance limit 3.79 A violated in 20 structures by 5.20 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.479, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.51 +/- 0.45  49.119% * 16.1708% (0.47   0.02   0.02) =  49.553%  kept
          QG    GLU-  79 - HB3   TRP   49  14.56 +/- 2.27  26.777% * 13.9029% (0.41   0.02   0.02) =  23.225%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.40 +/- 2.25  19.141% * 16.1708% (0.47   0.02   0.02) =  19.310%  kept
          HB    VAL  107 - HB3   TRP   49  19.13 +/- 1.52   4.430% * 27.0190% (0.79   0.02   0.02) =   7.467%  kept
          QG    GLN   32 - HB3   TRP   49  30.26 +/- 1.25   0.266% * 22.8711% (0.67   0.02   0.02) =   0.380%
          HG2   GLU-  29 - HB3   TRP   49  30.10 +/- 0.87   0.267% *  3.8655% (0.11   0.02   0.02) =   0.065%
    Distance limit 3.86 A violated in 20 structures by 7.21 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.59, residual support = 7.19:
          QB    ALA   47 - QB    CYS   50   3.60 +/- 0.43  99.707% * 98.8114% (0.65   3.59   7.19) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  11.64 +/- 1.12   0.135% *  0.5509% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  12.31 +/- 0.72   0.078% *  0.4481% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  12.52 +/- 1.58   0.081% *  0.1896% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.5, residual support = 8.16:
        T HB2   CYS   53 - QB    CYS   50   3.03 +/- 0.58  95.105% * 89.6184% (1.00 10.00   1.50   8.20) =  99.482%  kept
          HD3   PRO   52 - QB    CYS   50   5.66 +/- 0.71   4.386% * 10.1066% (0.73  1.00   2.32   0.02) =   0.517%  kept
          HD2   PRO   58 - QB    CYS   50   8.25 +/- 1.00   0.497% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  15.75 +/- 1.64   0.007% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.42 +/- 1.70   0.003% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  22.44 +/- 1.04   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  26.23 +/- 0.96   0.000% *  0.0449% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.49, residual support = 7.63:
      O   HN    CYS   50 - QB    CYS   50   2.97 +/- 0.33  94.281% * 88.0159% (0.80  10.0   1.48   7.67) =  99.188%  kept
          HN    TRP   49 - QB    CYS   50   4.78 +/- 0.29   5.710% * 11.8966% (0.65   1.0   2.48   2.91) =   0.812%  kept
          HN    VAL   83 - QB    CYS   50  15.19 +/- 1.60   0.008% *  0.0506% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  19.09 +/- 1.14   0.002% *  0.0370% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.990% * 97.0144% (0.87  10.0 10.00   2.81  10.21) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.32 +/- 0.55   0.010% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  17.76 +/- 1.72   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.93 +/- 1.12   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.04 +/- 0.85   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.55 +/- 0.79   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.33 +/- 1.40   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.68 +/- 1.24   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.11 +/- 1.16   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.59 +/- 1.79   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 1.85, residual support = 17.5:
          QB    PHE   55 - HB2   PRO   52   4.52 +/- 0.39  52.041% * 10.4775% (0.92   0.65   0.49) =  36.485%  kept
          HB3   CYS   53 - HB2   PRO   52   6.33 +/- 0.76   6.251% * 76.4121% (0.99   4.38  53.82) =  31.959%  kept
          HD3   PRO   93 - HB2   PRO   52   5.44 +/- 2.33  40.555% * 11.6201% (0.98   0.67   0.46) =  31.534%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.32 +/- 0.69   0.772% *  0.3395% (0.97   0.02   1.76) =   0.018%
          HB2   PHE   59 - HB2   PRO   52  11.20 +/- 0.95   0.195% *  0.2417% (0.69   0.02   0.02) =   0.003%
          HD3   PRO   93 - HG2   MET   96  14.44 +/- 0.98   0.050% *  0.1013% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.28 +/- 1.48   0.065% *  0.0710% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.50 +/- 1.63   0.031% *  0.1024% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.80 +/- 1.38   0.020% *  0.0954% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.64 +/- 1.53   0.015% *  0.0997% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.70 +/- 1.90   0.002% *  0.3395% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.17 +/- 1.83   0.003% *  0.0997% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.41, support = 0.886, residual support = 3.98:
        T HD3   PRO   93 - HB3   PRO   52   4.45 +/- 2.12  53.620% * 60.0553% (0.41 10.00   0.61   0.46) =  85.362%  kept
          QB    PHE   55 - HB3   PRO   52   4.35 +/- 0.37  36.955% *  8.1950% (0.53  1.00   0.65   0.49) =   8.028%  kept
          HB3   CYS   53 - HB3   PRO   52   5.48 +/- 0.56   8.879% * 28.0436% (0.25  1.00   4.72  53.82) =   6.601%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.40 +/- 0.57   0.302% *  0.9440% (0.20 10.00   0.02   1.76) =   0.008%
          HB2   PHE   59 - HB3   PRO   52  10.23 +/- 1.04   0.204% *  0.3820% (0.80  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB3   PRO   52  23.66 +/- 1.51   0.001% *  2.1386% (0.45 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.64 +/- 2.08   0.004% *  0.1083% (0.02 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  16.30 +/- 1.00   0.010% *  0.0225% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  15.87 +/- 1.19   0.014% *  0.0136% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.92 +/- 1.67   0.007% *  0.0288% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  22.06 +/- 1.37   0.002% *  0.0438% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  28.78 +/- 1.40   0.000% *  0.0245% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.305, support = 0.166, residual support = 0.0552:
          QB    ALA  110 - HB2   PRO   52   5.01 +/- 2.52  78.782% *  1.5920% (0.28   0.02   0.02) =  55.222%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.32 +/- 1.06   1.446% * 44.6816% (0.29   0.53   0.14) =  28.442%  kept
          HB3   LEU  115 - HB2   PRO   52  10.96 +/- 1.49   2.208% *  4.7828% (0.84   0.02   0.02) =   4.649%  kept
          HG    LEU   73 - HG2   MET   96   9.77 +/- 1.40   4.874% *  1.6233% (0.28   0.02   0.02) =   3.483%  kept
          HG    LEU   40 - HG2   MET   96   9.70 +/- 1.37   5.278% *  1.4050% (0.25   0.02   0.02) =   3.265%  kept
          HG    LEU  115 - HB2   PRO   52  11.27 +/- 1.83   4.548% *  1.5920% (0.28   0.02   0.02) =   3.188%  kept
          QB    ALA   61 - HB2   PRO   52  13.06 +/- 1.05   0.497% *  2.7872% (0.49   0.02   0.02) =   0.610%  kept
          HB3   LEU  115 - HG2   MET   96  13.08 +/- 1.21   0.442% *  1.4050% (0.25   0.02   0.02) =   0.273%
          HB3   LEU   67 - HG2   MET   96  14.94 +/- 0.99   0.191% *  1.0881% (0.19   0.02   0.02) =   0.091%
          QG    LYS+  66 - HB2   PRO   52  19.22 +/- 1.34   0.041% *  4.7828% (0.84   0.02   0.02) =   0.087%
          QB    ALA  120 - HB2   PRO   52  17.23 +/- 1.42   0.117% *  1.5920% (0.28   0.02   0.02) =   0.082%
          HG    LEU   73 - HB2   PRO   52  21.18 +/- 1.80   0.033% *  5.5260% (0.97   0.02   0.02) =   0.081%
          QG    LYS+  66 - HG2   MET   96  16.74 +/- 1.94   0.124% *  1.4050% (0.25   0.02   0.02) =   0.077%
          QB    ALA  110 - HG2   MET   96  13.03 +/- 1.05   0.355% *  0.4677% (0.08   0.02   0.02) =   0.073%
          HG    LEU   67 - HG2   MET   96  15.47 +/- 1.30   0.110% *  1.2214% (0.21   0.02   0.02) =   0.059%
          QB    ALA   61 - HG2   MET   96  15.27 +/- 1.08   0.130% *  0.8187% (0.14   0.02   0.02) =   0.047%
          HG    LEU  115 - HG2   MET   96  15.00 +/- 1.54   0.195% *  0.4677% (0.08   0.02   0.02) =   0.040%
          QB    ALA  120 - HG2   MET   96  14.36 +/- 1.60   0.190% *  0.4677% (0.08   0.02   0.02) =   0.039%
          HG    LEU   80 - HG2   MET   96  17.73 +/- 4.57   0.164% *  0.5192% (0.09   0.02   0.02) =   0.037%
          HG    LEU   80 - HB2   PRO   52  21.22 +/- 3.01   0.042% *  1.7673% (0.31   0.02   0.02) =   0.032%
          HG12  ILE   19 - HG2   MET   96  16.75 +/- 1.85   0.177% *  0.3745% (0.07   0.02   0.02) =   0.029%
          HG    LEU   40 - HB2   PRO   52  23.59 +/- 1.98   0.014% *  4.7828% (0.84   0.02   0.02) =   0.029%
          HB3   LEU   67 - HB2   PRO   52  23.01 +/- 1.54   0.015% *  3.7042% (0.65   0.02   0.02) =   0.025%
          HG    LEU   67 - HB2   PRO   52  23.13 +/- 1.57   0.012% *  4.1579% (0.73   0.02   0.02) =   0.022%
          HG2   LYS+ 102 - HB2   PRO   52  28.95 +/- 1.84   0.004% *  5.7133% (1.00   0.02   0.02) =   0.010%
          HG12  ILE   19 - HB2   PRO   52  25.03 +/- 2.38   0.012% *  1.2748% (0.22   0.02   0.02) =   0.007%
    Distance limit 3.09 A violated in 10 structures by 1.30 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 = 0.605, support = 0.0199, residual support = 0.281:
          HB3   PRO   93 - HD2   PRO   52   7.80 +/- 1.74  70.246% *  5.3763% (0.65  1.00   0.02   0.46) =  59.397%  kept
        T QB    ALA   88 - HD2   PRO   52  12.18 +/- 1.34   7.271% * 14.5547% (0.18 10.00   0.02   0.02) =  16.644%  kept
          QB    ALA   84 - HD2   PRO   52  11.33 +/- 1.42   9.840% *  5.7087% (0.69  1.00   0.02   0.02) =   8.835%  kept
          HG2   LYS+ 111 - HD2   PRO   52  12.74 +/- 1.74   6.534% *  6.9417% (0.84  1.00   0.02   0.02) =   7.133%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.54 +/- 1.69   4.081% *  8.1462% (0.98  1.00   0.02   0.02) =   5.229%  kept
          HB2   LEU   63 - HD2   PRO   52  16.14 +/- 1.05   0.799% *  8.3107% (1.00  1.00   0.02   0.02) =   1.044%  kept
          HB3   LEU   80 - HD2   PRO   52  17.18 +/- 2.13   0.663% *  8.1462% (0.98  1.00   0.02   0.02) =   0.850%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.61 +/- 1.25   0.281% * 12.8231% (0.15 10.00   0.02   0.02) =   0.566%  kept
          HG    LEU   98 - HD2   PRO   52  22.51 +/- 1.76   0.111% *  6.6547% (0.80  1.00   0.02   0.02) =   0.116%
          QB    ALA  124 - HD2   PRO   52  22.94 +/- 1.12   0.097% *  7.4533% (0.90  1.00   0.02   0.02) =   0.114%
          HB2   LEU   31 - HD2   PRO   52  26.49 +/- 1.26   0.040% *  7.4533% (0.90  1.00   0.02   0.02) =   0.047%
          HG2   LYS+  99 - HD2   PRO   52  28.52 +/- 0.93   0.026% *  4.7052% (0.57  1.00   0.02   0.02) =   0.019%
          HG2   LYS+  38 - HD2   PRO   52  32.77 +/- 1.47   0.011% *  3.7260% (0.45  1.00   0.02   0.02) =   0.007%
    Distance limit 3.55 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 = 7.3, residual support = 222.8:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.993% * 97.1447% (0.80  10.0 10.00   7.30 222.80) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   9.00 +/- 0.52   0.006% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  20.99 +/- 2.28   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  14.86 +/- 1.74   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.90 +/- 1.62   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  21.15 +/- 1.66   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.81 +/- 1.36   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.85 +/- 1.11   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.73 +/- 1.22   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  32.07 +/- 1.37   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.99 +/- 1.44   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.56 +/- 1.83   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.99 +/- 1.37   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 = 7.3, residual support = 222.8:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.586% * 98.5557% (0.87  10.0 10.00   7.30 222.80) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.56 +/- 0.47   0.411% *  0.0426% (0.38   1.0  1.00   0.02  53.82) =   0.000%
          HA    ILE   89 - HD2   PRO   52  11.19 +/- 1.30   0.002% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  19.79 +/- 2.10   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.76 +/- 1.14   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.90 +/- 1.43   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.26 +/- 1.39   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  29.75 +/- 1.97   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.55 +/- 1.33   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.2:
      O   HA1   GLY   51 - HD3   PRO   52   2.19 +/- 0.20  99.979% * 97.0168% (0.76  10.0  1.00   3.95  13.21) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.74 +/- 1.84   0.007% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.63 +/- 0.46   0.009% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.34 +/- 1.27   0.002% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.01 +/- 2.52   0.002% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.15 +/- 1.72   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.85 +/- 1.14   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.50 +/- 1.28   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  19.97 +/- 1.95   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  40.56 +/- 2.14   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  36.94 +/- 2.31   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.08, residual support = 13.2:
      O   HA1   GLY   51 - HD2   PRO   52   2.95 +/- 0.25  99.881% * 92.3448% (0.34  10.0  1.00   5.08  13.21) = 100.000%  kept
          HB    THR   77 - HD2   PRO   52  10.64 +/- 1.70   0.072% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.65 +/- 1.27   0.004% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  12.80 +/- 1.10   0.025% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.77 +/- 2.36   0.014% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.60 +/- 1.08   0.000% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  19.28 +/- 1.54   0.002% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  28.95 +/- 1.21   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  29.56 +/- 2.10   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.02 +/- 1.05   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  35.31 +/- 2.37   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  38.92 +/- 2.18   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.8:
      O   HG2   PRO   52 - HD3   PRO   52   2.67 +/- 0.30  99.538% * 99.6603% (0.90  10.0   6.60 222.80) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   7.67 +/- 1.80   0.449% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  13.98 +/- 1.42   0.008% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.08 +/- 0.36   0.004% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  16.70 +/- 2.21   0.002% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  27.20 +/- 1.55   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  36.52 +/- 1.80   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 222.8:
      O   HG3   PRO   52 - HD3   PRO   52   2.54 +/- 0.30  99.931% * 99.3977% (0.97  10.0  1.00   6.60 222.80) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   9.64 +/- 1.84   0.062% *  0.2038% (0.20   1.0 10.00   0.02   0.46) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.26 +/- 0.34   0.006% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.07 +/- 1.46   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  31.01 +/- 2.55   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  29.05 +/- 1.35   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.81 +/- 1.31   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  41.04 +/- 2.49   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.75, residual support = 222.8:
      O   HB3   PRO   52 - HD3   PRO   52   4.04 +/- 0.21  94.771% * 98.5682% (0.57  10.0   6.75 222.80) =  99.992%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.70 +/- 0.48   2.175% *  0.1647% (0.95   1.0   0.02   1.76) =   0.004%
          HB3   GLN   90 - HD3   PRO   52   9.28 +/- 2.18   2.266% *  0.1331% (0.76   1.0   0.02   0.02) =   0.003%
          HB    ILE   56 - HD3   PRO   52   9.74 +/- 1.15   0.673% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  16.57 +/- 2.40   0.075% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.35 +/- 1.19   0.025% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.95 +/- 1.11   0.004% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  25.28 +/- 1.56   0.002% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.03 +/- 1.74   0.003% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.17 +/- 1.70   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.80 +/- 1.26   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.33 +/- 1.37   0.002% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.74 +/- 1.40   0.002% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.46 +/- 1.67   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.18 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  99.978% * 99.3018% (0.61   6.10  53.82) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.30 +/- 2.25   0.020% *  0.2015% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.71 +/- 1.50   0.001% *  0.3474% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.74 +/- 1.29   0.000% *  0.1493% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 3.47, residual support = 13.2:
          HN    GLY   51 - HD3   PRO   52   3.34 +/- 0.81  99.984% * 99.4616% (0.92   3.47  13.21) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.28 +/- 1.09   0.016% *  0.5384% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.77, residual support = 1.74:
          HN    ARG+  54 - HD2   PRO   52   4.26 +/- 0.15  87.488% * 83.4053% (0.61   1.80   1.76) =  97.829%  kept
          HN    PHE   55 - HD2   PRO   52   5.93 +/- 0.17  12.426% * 13.0254% (0.73   0.23   0.49) =   2.170%  kept
          HN    ASP-  62 - HD2   PRO   52  15.33 +/- 0.73   0.043% *  1.4108% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  15.90 +/- 1.44   0.041% *  0.3811% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.74 +/- 1.31   0.002% *  1.4749% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.32 +/- 1.09   0.001% *  0.3025% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.57 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   2.27 +/- 0.02  99.998% * 99.4796% (0.61   8.20  53.82) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.06 +/- 2.03   0.002% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.16 +/- 1.39   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.12 +/- 1.21   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
          QB    CYS   50 - HB3   CYS   53   3.72 +/- 0.66  97.508% * 96.8478% (0.92   1.50   8.20) =  99.967%  kept
          QE    LYS+  74 - HB3   CYS   53   8.40 +/- 2.05   2.117% *  1.3233% (0.95   0.02   0.02) =   0.030%
          HB3   ASP-  78 - HB3   CYS   53  11.22 +/- 1.71   0.334% *  0.7920% (0.57   0.02   0.02) =   0.003%
          HB2   PHE   72 - HB3   CYS   53  14.83 +/- 1.80   0.040% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.20 +/- 1.57   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYS   50 - HB2   CYS   53   3.03 +/- 0.58  99.458% * 99.6254% (0.92 10.00   1.50   8.20) =  99.999%  kept
          QE    LYS+  74 - HB2   CYS   53   8.30 +/- 1.56   0.436% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  11.26 +/- 1.74   0.094% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  14.74 +/- 1.03   0.011% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.04 +/- 1.36   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.943, support = 0.0199, residual support = 0.0199:
        T QG2   ILE   56 - HA    CYS   53   2.82 +/- 0.84  96.951% * 41.1882% (0.95 10.00   0.02   0.02) =  99.711%  kept
          QB    ALA   91 - HA    CYS   53   7.06 +/- 1.61   2.862% *  3.9049% (0.90  1.00   0.02   0.02) =   0.279%
          HG2   LYS+  74 - HA    CYS   53  11.20 +/- 1.71   0.168% *  1.4852% (0.34  1.00   0.02   0.02) =   0.006%
        T HG13  ILE   19 - HA    CYS   53  20.21 +/- 1.82   0.003% * 24.6510% (0.57 10.00   0.02   0.02) =   0.002%
        T HG    LEU   71 - HA    CYS   53  21.40 +/- 1.53   0.002% * 13.4389% (0.31 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  19.53 +/- 1.06   0.004% *  3.9049% (0.90  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    CYS   53  19.41 +/- 0.91   0.004% *  3.4865% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    CYS   53  17.17 +/- 0.99   0.006% *  1.9521% (0.45  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.10 +/- 2.27   0.000% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  24.75 +/- 1.22   0.001% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 3 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 43.9:
      O   HN    CYS   53 - HA    CYS   53   2.77 +/- 0.04  99.996% * 99.7861% (0.61  10.0   4.78  43.92) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.63 +/- 1.36   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  21.74 +/- 0.96   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.84 +/- 1.08   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 43.9:
      O   HN    CYS   53 - HB2   CYS   53   2.84 +/- 0.37  99.990% * 99.7861% (0.61  10.0   4.92  43.92) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.02 +/- 1.06   0.009% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  20.76 +/- 0.90   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.99 +/- 1.04   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.49, residual support = 32.1:
          HN    ARG+  54 - HB2   CYS   53   3.17 +/- 0.19  94.201% * 98.9847% (0.97   5.49  32.12) =  99.993%  kept
          HN    PHE   55 - HB2   CYS   53   5.12 +/- 0.16   5.741% *  0.1153% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   CYS   53  11.43 +/- 0.95   0.057% *  0.3534% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.98 +/- 1.06   0.001% *  0.3350% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.09 +/- 1.02   0.000% *  0.2115% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 32.1:
          HN    ARG+  54 - HB3   CYS   53   3.74 +/- 0.28  99.834% * 99.1729% (0.87   5.36  32.12) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  11.91 +/- 1.20   0.163% *  0.2244% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.68 +/- 1.17   0.002% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  27.89 +/- 1.18   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.61, residual support = 157.6:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.94 +/- 0.13  90.007% * 99.8484% (0.87  10.0 10.00   4.61 157.64) =  99.997%  kept
          QB    ALA   57 - HD2   ARG+  54   4.67 +/- 0.79   9.989% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HD2   ARG+  54  17.00 +/- 1.85   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  22.95 +/- 2.38   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  28.18 +/- 1.84   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.57, residual support = 157.6:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.941% * 99.6886% (0.87  10.0 10.00   3.57 157.64) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.88 +/- 0.86   0.042% *  0.0559% (0.49   1.0  1.00   0.02   3.55) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.07 +/- 0.64   0.012% *  0.0920% (0.80   1.0  1.00   0.02  32.12) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.50 +/- 1.76   0.004% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.82 +/- 0.89   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.16 +/- 1.58   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 = 3.57, residual support = 157.6:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.57 157.64) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  25.51 +/- 1.61   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 = 157.6:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.65 +/- 0.24  91.281% * 99.8484% (0.87  10.0 10.00   3.74 157.64) =  99.998%  kept
          QB    ALA   57 - HD3   ARG+  54   4.76 +/- 0.99   8.717% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD3   ARG+  54  17.55 +/- 2.03   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.27 +/- 2.11   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.84 +/- 2.15   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 157.6:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.54 +/- 0.30  99.623% * 97.6350% (0.49  10.0 10.00   3.89 157.64) = 100.000%  kept
          HB2   MET   92 - HD3   ARG+  54  14.37 +/- 2.79   0.254% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54   9.69 +/- 1.42   0.070% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   ARG+  54  10.30 +/- 0.90   0.027% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  15.54 +/- 3.26   0.024% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  20.21 +/- 2.35   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  24.96 +/- 1.66   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.34 +/- 1.34   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.57 +/- 1.12   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  26.37 +/- 1.77   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.69 +/- 1.70   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.36 +/- 1.68   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  33.28 +/- 2.71   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.06, residual support = 157.6:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.33 +/- 0.34  99.904% * 99.0727% (0.73  10.0   4.06 157.64) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  12.21 +/- 1.48   0.072% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.09 +/- 1.63   0.006% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.20 +/- 2.06   0.004% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.79 +/- 1.63   0.008% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  19.67 +/- 2.24   0.004% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  24.70 +/- 1.99   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  26.54 +/- 1.84   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  27.17 +/- 1.83   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.50 +/- 1.80   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.70 +/- 1.75   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.18 +/- 1.73   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 157.6:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.940% * 97.1361% (0.92  10.0 10.00   4.97 157.64) = 100.000%  kept
          HB2   MET   92 - HG3   ARG+  54  12.63 +/- 2.37   0.033% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.06 +/- 1.01   0.018% *  0.0208% (0.20   1.0  1.00   0.02   1.76) =   0.000%
          HB    ILE   56 - HG3   ARG+  54   9.31 +/- 0.90   0.006% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  13.85 +/- 2.75   0.003% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.11 +/- 1.44   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.74 +/- 2.32   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.19 +/- 1.34   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.09 +/- 2.08   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  27.15 +/- 1.30   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.65 +/- 1.24   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.13 +/- 1.66   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.59 +/- 1.21   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  32.75 +/- 2.06   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.14, residual support = 157.6:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.75 +/- 0.21  99.986% * 97.7423% (0.31  10.0   5.14 157.64) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.63 +/- 1.59   0.004% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.77 +/- 1.82   0.002% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.75 +/- 2.13   0.003% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.71 +/- 1.26   0.004% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  19.85 +/- 2.01   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.60 +/- 1.56   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  24.91 +/- 1.51   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  26.48 +/- 1.25   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.77 +/- 1.30   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.87 +/- 1.28   0.000% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.08 +/- 1.53   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.90 +/- 1.45   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 157.6:
      O   HA    ARG+  54 - HG3   ARG+  54   3.25 +/- 0.49  99.974% * 99.5710% (1.00  10.0   4.76 157.64) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.69 +/- 1.23   0.014% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.35 +/- 2.15   0.005% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.73 +/- 1.20   0.005% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.26 +/- 2.26   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.96 +/- 1.00   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.46 +/- 1.31   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.50 +/- 1.58   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.67 +/- 1.37   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 157.6:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.65 +/- 0.24 100.000% * 99.9462% (0.76  10.0 10.00   3.74 157.64) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.12 +/- 1.83   0.000% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 4.61, residual support = 156.7:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.94 +/- 0.13  93.312% * 90.3121% (0.87  10.0 10.00   4.61 157.64) =  99.387%  kept
          QB    PHE   55 - HG3   ARG+  54   5.92 +/- 1.11   5.485% *  9.4565% (0.49   1.0  1.00   3.73   3.55) =   0.612%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.42 +/- 0.58   1.071% *  0.0834% (0.80   1.0  1.00   0.02  32.12) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.84 +/- 1.44   0.099% *  0.0631% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.34 +/- 0.88   0.033% *  0.0260% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.27 +/- 1.31   0.000% *  0.0589% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.41, residual support = 157.6:
          HN    ARG+  54 - HG3   ARG+  54   3.46 +/- 0.44  99.941% * 99.3069% (0.87   6.41 157.64) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.00 +/- 1.05   0.058% *  0.1880% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  27.67 +/- 1.20   0.001% *  0.1602% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.27 +/- 1.31   0.000% *  0.3449% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 157.6:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.715% * 98.1061% (0.87  10.0 10.00   4.97 157.64) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   3.84 +/- 0.50   1.227% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  10.89 +/- 3.52   0.058% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.33 +/- 1.87   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  16.14 +/- 2.19   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  22.37 +/- 2.55   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.52 +/- 1.99   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.11 +/- 1.44   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.18 +/- 3.33   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.54 +/- 1.02   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.14, support = 2.81, residual support = 34.9:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  88.613% * 33.8555% (0.12  10.0  1.00   2.31  34.95) =  80.743%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.57 +/- 0.32  11.344% * 63.0750% (0.22  10.0  1.00   4.90  34.95) =  19.257%  kept
          QB    GLU-  15 - HG3   PRO   68   8.30 +/- 2.00   0.039% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.50 +/- 1.54   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  13.06 +/- 1.79   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.48 +/- 1.18   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.07 +/- 2.27   0.002% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  18.81 +/- 1.78   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.26 +/- 0.91   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  17.02 +/- 1.90   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.90 +/- 1.49   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  22.63 +/- 1.36   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.92 +/- 1.38   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.10 +/- 2.60   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  23.85 +/- 1.60   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.88 +/- 3.23   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.14 +/- 2.27   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.59 +/- 1.49   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.53 +/- 1.60   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.03 +/- 1.65   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.99 +/- 1.26   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  25.62 +/- 1.45   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.35 +/- 0.99   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.05 +/- 1.48   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 = 0.714, support = 4.63, residual support = 131.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.75 +/- 0.18  38.387% * 84.7016% (0.87  10.0 10.00   4.58 157.64) =  78.642%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.30  59.852% * 14.7520% (0.15  10.0  1.00   4.79  34.95) =  21.356%  kept
          QB    PHE   55 - HG2   ARG+  54   5.97 +/- 0.96   1.217% *  0.0475% (0.49   1.0  1.00   0.02   3.55) =   0.001%
          HB3   CYS   53 - HG2   ARG+  54   6.12 +/- 0.77   0.462% *  0.0782% (0.80   1.0  1.00   0.02  32.12) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.72 +/- 1.52   0.066% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.52 +/- 0.68   0.014% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.01 +/- 1.69   0.000% *  0.2260% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.91 +/- 1.66   0.001% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.24 +/- 1.27   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.78 +/- 1.52   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.15 +/- 1.75   0.000% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  23.98 +/- 2.22   0.000% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 157.6:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.54 +/- 0.30 100.000% * 99.7339% (0.31  10.0 10.00   3.89 157.64) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  24.96 +/- 1.66   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 157.6:
      O T HA    ARG+  54 - HG2   ARG+  54   2.42 +/- 0.54  99.949% * 97.8074% (1.00  10.0 10.00   4.74 157.64) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  15.16 +/- 1.15   0.007% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  17.46 +/- 2.63   0.007% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.32 +/- 1.76   0.001% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  12.79 +/- 3.03   0.022% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.36 +/- 1.35   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.13 +/- 1.21   0.005% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  26.37 +/- 2.48   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.39 +/- 1.22   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.24 +/- 2.39   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.31 +/- 1.41   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.57 +/- 2.85   0.002% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  31.73 +/- 1.59   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.02 +/- 1.39   0.000% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.25 +/- 1.24   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.53 +/- 1.39   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.77 +/- 1.97   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.73 +/- 1.52   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.3, residual support = 157.6:
          HN    ARG+  54 - HG2   ARG+  54   3.45 +/- 0.28  99.862% * 99.0253% (0.87   6.30 157.64) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.96 +/- 0.80   0.073% *  0.1907% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.68 +/- 0.96   0.046% *  0.0509% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  15.89 +/- 1.36   0.014% *  0.0934% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.80 +/- 1.16   0.003% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.06 +/- 1.46   0.001% *  0.0839% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  26.87 +/- 1.41   0.001% *  0.1625% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.33 +/- 1.47   0.000% *  0.3499% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   4.50 +/- 0.50  99.658% * 19.4000% (0.97   0.02   0.02) =  99.751%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  14.98 +/- 1.79   0.129% * 19.7041% (0.98   0.02   0.02) =   0.131%
          HD2   LYS+  74 - HB3   ARG+  54  14.59 +/- 1.20   0.123% * 14.5972% (0.73   0.02   0.02) =   0.093%
          QD    LYS+  65 - HB3   ARG+  54  15.51 +/- 1.39   0.069% *  3.5205% (0.18   0.02   0.02) =   0.013%
          HB3   LEU  123 - HB3   ARG+  54  22.43 +/- 2.27   0.008% * 19.4000% (0.97   0.02   0.02) =   0.008%
          QD    LYS+  33 - HB3   ARG+  54  27.56 +/- 1.70   0.002% * 19.4000% (0.97   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HB3   ARG+  54  21.21 +/- 1.20   0.010% *  3.9782% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.02 A violated in 17 structures by 1.48 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.39, residual support = 157.6:
      O   HN    ARG+  54 - HB3   ARG+  54   2.42 +/- 0.55  99.981% * 99.7769% (0.87  10.0   4.39 157.64) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.63 +/- 0.80   0.019% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  27.76 +/- 1.05   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.18 +/- 1.07   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 157.6:
      O   HN    ARG+  54 - HB2   ARG+  54   3.07 +/- 0.55  99.933% * 99.6984% (0.87  10.0   6.34 157.64) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.22 +/- 0.72   0.038% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.01 +/- 2.12   0.014% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.68 +/- 1.36   0.007% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.16 +/- 2.96   0.003% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.73 +/- 1.66   0.003% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.99 +/- 1.00   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.22 +/- 1.16   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.27 +/- 2.22   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  24.52 +/- 2.57   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.92 +/- 1.66   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  37.23 +/- 2.10   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 28.1:
          QE    PHE   59 - HA    LEU  115   3.37 +/- 1.17  90.056% * 83.3682% (0.25   1.50  28.15) =  99.714%  kept
          QD    PHE   60 - HA    ARG+  54   7.14 +/- 1.03   6.149% *  2.5542% (0.57   0.02   0.02) =   0.209%
          HN    PHE   59 - HA    ARG+  54   7.37 +/- 0.52   2.203% *  1.8547% (0.41   0.02   0.02) =   0.054%
          QE    PHE   59 - HA    ARG+  54  10.92 +/- 0.93   0.195% *  3.6125% (0.80   0.02   0.02) =   0.009%
          QD    PHE   60 - HA    LEU  115   9.39 +/- 1.61   0.697% *  0.7859% (0.17   0.02   0.02) =   0.007%
          HN    PHE   59 - HA    LEU  115   8.20 +/- 0.93   0.630% *  0.5707% (0.13   0.02  28.15) =   0.005%
          HN    LYS+  66 - HA    ARG+  54  15.53 +/- 0.82   0.022% *  4.4221% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    LEU  115  13.10 +/- 1.38   0.041% *  1.3607% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  20.30 +/- 1.13   0.006% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  25.33 +/- 2.04   0.001% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 3 structures by 0.31 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 147.8:
      O   HN    ARG+  54 - HA    ARG+  54   2.74 +/- 0.04  82.371% * 75.5578% (0.97  10.0   6.26 157.64) =  93.625%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.55 +/- 0.04  17.536% * 24.1648% (0.31  10.0   3.09   3.55) =   6.375%  kept
          HN    ASP-  62 - HA    ARG+  54  10.13 +/- 0.74   0.039% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.56 +/- 1.00   0.030% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.29 +/- 0.80   0.007% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.55 +/- 0.78   0.016% *  0.0074% (0.09   1.0   0.02   4.69) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.57 +/- 1.03   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.32 +/- 1.09   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.65 +/- 1.06   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  29.73 +/- 1.19   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 18.0:
          HN    ILE   56 - QB    PHE   55   2.69 +/- 0.23  99.208% * 97.4351% (0.57   4.27  18.01) =  99.998%  kept
          HN    LYS+ 111 - QB    PHE   55   7.05 +/- 1.36   0.613% *  0.1795% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55   9.72 +/- 1.86   0.157% *  0.2010% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.45 +/- 0.45   0.019% *  0.5537% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  20.27 +/- 2.72   0.001% *  0.6733% (0.84   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.50 +/- 1.63   0.002% *  0.1795% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  22.65 +/- 1.07   0.000% *  0.7779% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.92, residual support = 20.1:
      O   HN    PHE   55 - QB    PHE   55   1.98 +/- 0.07  98.893% * 99.5965% (0.73  10.0   2.92  20.08) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.22 +/- 0.14   1.102% *  0.0832% (0.61   1.0   0.02   3.55) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.42 +/- 0.35   0.005% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.73 +/- 1.67   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  24.21 +/- 1.09   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.39 +/- 1.09   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.887, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.57 +/- 1.10  94.651% * 36.5548% (0.90   0.02   0.02) =  97.309%  kept
          HN    LYS+  66 - QB    PHE   55  15.07 +/- 0.50   3.761% * 16.7569% (0.41   0.02   0.02) =   1.772%  kept
          HN    LYS+  81 - QB    PHE   55  20.37 +/- 1.61   0.665% * 40.3993% (0.99   0.02   0.02) =   0.756%  kept
          HE3   TRP   27 - QB    PHE   55  18.99 +/- 1.06   0.923% *  6.2891% (0.15   0.02   0.02) =   0.163%
    Distance limit 3.18 A violated in 20 structures by 5.33 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.02, residual support = 122.6:
      O   HN    ILE   56 - HB    ILE   56   2.93 +/- 0.60  95.283% * 98.8687% (0.25  10.0   6.02 122.60) =  99.989%  kept
          QE    PHE   60 - HB    ILE   56   8.42 +/- 2.34   4.354% *  0.2245% (0.57   1.0   0.02   4.10) =   0.010%
          HN    LEU   63 - HB    ILE   56   9.34 +/- 1.13   0.360% *  0.1353% (0.34   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB    ILE   56  20.78 +/- 2.70   0.002% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.09 +/- 1.16   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.547, support = 2.1, residual support = 12.5:
          QD    PHE   55 - HB    ILE   56   4.57 +/- 0.99  54.015% * 61.5378% (0.41   2.73  18.01) =  67.905%  kept
          QE    PHE   95 - HB    ILE   56   5.70 +/- 2.40  45.787% * 34.3077% (0.84   0.75   0.78) =  32.091%  kept
          HD1   TRP   49 - HB    ILE   56  13.60 +/- 2.68   0.150% *  0.8371% (0.76   0.02   0.02) =   0.003%
          HN    LEU   67 - HB    ILE   56  15.65 +/- 1.06   0.026% *  1.0856% (0.99   0.02   0.02) =   0.001%
          HN    THR   23 - HB    ILE   56  20.24 +/- 1.18   0.006% *  0.9501% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.22 +/- 1.14   0.012% *  0.3736% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  23.87 +/- 2.33   0.003% *  0.6643% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  27.44 +/- 1.62   0.001% *  0.2439% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 122.6:
      O T QD1   ILE   56 - HB    ILE   56   2.78 +/- 0.40  99.961% * 99.4902% (0.87  10.0 10.00   4.56 122.60) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.17 +/- 1.76   0.023% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  15.48 +/- 1.55   0.007% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.35 +/- 1.44   0.008% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  21.73 +/- 1.38   0.001% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.89, residual support = 122.6:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.992% * 98.2187% (0.87  10.0 10.00   3.89 122.60) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.57 +/- 1.26   0.003% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  12.62 +/- 0.90   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  10.92 +/- 1.02   0.003% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  17.90 +/- 1.33   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.7, residual support = 122.6:
        T QG2   ILE   56 - QD1   ILE   56   2.63 +/- 0.65  99.744% * 98.5057% (0.72 10.00   4.70 122.60) = 100.000%  kept
          QB    ALA   91 - QD1   ILE   56   8.21 +/- 1.48   0.152% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.20 +/- 1.04   0.005% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   8.99 +/- 1.49   0.089% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  15.62 +/- 1.32   0.003% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  14.78 +/- 1.06   0.006% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.40 +/- 2.07   0.001% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.825, support = 2.17, residual support = 4.48:
          QB    ALA  110 - QD1   ILE   56   4.50 +/- 2.44  43.412% * 66.4993% (0.85  1.00   2.37   5.05) =  88.142%  kept
          QB    ALA   61 - QD1   ILE   56   6.69 +/- 0.86   9.508% * 24.7697% (0.94  1.00   0.79   0.02) =   7.191%  kept
          HB3   LEU  115 - QD1   ILE   56   3.96 +/- 1.30  46.171% *  3.3020% (0.21  1.00   0.47   0.50) =   4.655%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.04 +/- 1.55   0.078% *  1.7397% (0.26 10.00   0.02   0.02) =   0.004%
          QG    LYS+  66 - QD1   ILE   56  10.50 +/- 1.30   0.214% *  0.5427% (0.82  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QD1   ILE   56  12.19 +/- 1.64   0.269% *  0.1560% (0.24  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   ILE   56  12.91 +/- 1.03   0.064% *  0.6133% (0.93  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   ILE   56  13.50 +/- 1.38   0.089% *  0.4298% (0.65  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  16.40 +/- 1.74   0.034% *  0.5226% (0.79  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD1   ILE   56  17.64 +/- 2.68   0.022% *  0.5776% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.04 +/- 2.58   0.047% *  0.2572% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.02 +/- 1.50   0.037% *  0.1393% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  12.98 +/- 1.03   0.049% *  0.0965% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  19.69 +/- 1.61   0.005% *  0.3542% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 3 structures by 0.43 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.89, residual support = 122.6:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.918% * 98.9931% (0.85  10.0 10.00   3.89 122.60) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.57 +/- 1.07   0.039% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.48 +/- 1.68   0.035% *  0.0341% (0.29   1.0  1.00   0.02   1.98) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.34 +/- 1.70   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.31 +/- 1.46   0.006% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.38 +/- 1.81   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.78 +/- 1.20   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.23 +/- 1.24   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.56, residual support = 122.6:
      O T HB    ILE   56 - QD1   ILE   56   2.78 +/- 0.40  98.907% * 98.1990% (0.72  10.0 10.00   4.56 122.60) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.72 +/- 0.46   0.568% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   8.32 +/- 1.18   0.355% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.05 +/- 1.20   0.133% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.53 +/- 1.28   0.003% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  12.90 +/- 1.81   0.027% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.18 +/- 1.97   0.004% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.33 +/- 1.70   0.001% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.91 +/- 1.14   0.002% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.98 +/- 1.79   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.55, residual support = 6.09:
        T HA    LYS+ 112 - QD1   ILE   56   4.82 +/- 1.44  80.101% * 99.8218% (0.79 10.00   1.55   6.09) =  99.988%  kept
          HB    THR   46 - QD1   ILE   56   8.33 +/- 1.79  19.062% *  0.0477% (0.29  1.00   0.02   0.02) =   0.011%
          HB2   HIS  122 - QD1   ILE   56  11.75 +/- 1.00   0.792% *  0.0875% (0.54  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   ILE   56  19.38 +/- 1.58   0.045% *  0.0430% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 14 structures by 1.74 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.98, residual support = 8.17:
          HA    ALA  110 - QD1   ILE   56   4.47 +/- 3.30  76.498% * 45.5655% (0.94   2.68   5.05) =  75.914%  kept
          HA    PHE   55 - QD1   ILE   56   5.23 +/- 0.81  20.542% * 53.8198% (0.76   3.92  18.01) =  24.078%  kept
          HA    VAL  107 - QD1   ILE   56   7.16 +/- 1.52   1.380% *  0.1286% (0.36   0.02   0.02) =   0.004%
          HA    ALA   91 - QD1   ILE   56   9.84 +/- 1.93   1.265% *  0.0855% (0.24   0.02   0.02) =   0.002%
          HA    GLN   90 - QD1   ILE   56  12.77 +/- 1.69   0.153% *  0.3243% (0.89   0.02   0.02) =   0.001%
          HA    VAL   42 - QD1   ILE   56  11.23 +/- 1.41   0.161% *  0.0763% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 4 structures by 0.42 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  10.16 +/- 0.74 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.31 A violated in 20 structures by 6.85 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.6, residual support = 20.8:
          HN    PHE   59 - QD1   ILE   56   3.82 +/- 0.26  99.787% * 93.2317% (0.29   1.60  20.76) =  99.992%  kept
          HN    HIS  122 - QD1   ILE   56  11.18 +/- 1.06   0.192% *  3.2789% (0.82   0.02   0.02) =   0.007%
          HH2   TRP   87 - QD1   ILE   56  18.29 +/- 2.61   0.020% *  3.4894% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.0:
          HN    ALA   57 - QD1   ILE   56   3.89 +/- 0.66  93.495% * 98.3780% (0.42   4.64  33.01) =  99.975%  kept
          HE21  GLN  116 - QD1   ILE   56   8.45 +/- 1.99   6.467% *  0.3548% (0.36   0.02   0.02) =   0.025%
          HE21  GLN   90 - QD1   ILE   56  15.55 +/- 2.21   0.033% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  22.21 +/- 1.93   0.004% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.248, support = 5.48, residual support = 118.0:
          HN    ILE   56 - QD1   ILE   56   3.07 +/- 0.81  90.032% * 68.5519% (0.24   5.66 122.60) =  96.094%  kept
          QE    PHE   60 - QD1   ILE   56   6.53 +/- 2.25   8.567% * 29.2253% (0.54   1.06   4.10) =   3.898%  kept
          HN    LEU   63 - QD1   ILE   56   7.23 +/- 0.66   1.386% *  0.3315% (0.32   0.02   0.02) =   0.007%
          HZ2   TRP   87 - QD1   ILE   56  17.02 +/- 2.69   0.011% *  0.9719% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  17.82 +/- 1.35   0.004% *  0.9194% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.5, residual support = 6.08:
          HN    LYS+ 112 - QD1   ILE   56   5.88 +/- 1.70  85.295% * 97.0232% (0.50   1.50   6.09) =  99.870%  kept
          HN    VAL   75 - QD1   ILE   56  10.46 +/- 1.72  12.124% *  0.5474% (0.21   0.02   0.02) =   0.080%
          HN    ASP-  78 - QD1   ILE   56  13.08 +/- 1.66   2.568% *  1.5906% (0.61   0.02   0.02) =   0.049%
          HN    MET   11 - QD1   ILE   56  29.27 +/- 1.55   0.013% *  0.8387% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 14 structures by 2.32 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.8:
        T HB3   PHE   59 - QG1   ILE   56   2.99 +/- 0.55  96.201% * 99.8494% (0.38 10.00   3.00  20.76) =  99.994%  kept
          HB2   PHE   95 - QG1   ILE   56   5.89 +/- 1.14   3.799% *  0.1506% (0.57  1.00   0.02   0.78) =   0.006%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.343, support = 2.5, residual support = 20.7:
        T HB2   PHE   59 - QG1   ILE   56   2.33 +/- 0.39  97.074% * 73.3061% (0.34 10.00   2.49  20.76) =  99.355%  kept
          QB    PHE   55 - QG1   ILE   56   4.93 +/- 0.33   1.770% * 25.9942% (0.61  1.00   3.99  18.01) =   0.642%  kept
          HB3   CYS   53 - QG1   ILE   56   6.70 +/- 0.82   0.532% *  0.1927% (0.90  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - QG1   ILE   56   6.38 +/- 1.10   0.597% *  0.1561% (0.73  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QG1   ILE   56   9.96 +/- 0.68   0.023% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.49 +/- 1.43   0.003% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.24 +/- 0.68 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.85 A violated in 20 structures by 6.39 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 = 20.8:
          QD    PHE   59 - QG1   ILE   56   3.23 +/- 0.66  99.889% * 96.4507% (0.34   1.97  20.76) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.23 +/- 0.57   0.097% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG1   ILE   56  16.90 +/- 1.05   0.010% *  0.9772% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - QG1   ILE   56  19.06 +/- 2.35   0.004% *  1.3944% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 122.6:
      O   HN    ILE   56 - HA    ILE   56   2.93 +/- 0.01  99.376% * 98.8687% (0.25  10.0   5.04 122.60) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   8.44 +/- 1.49   0.425% *  0.2245% (0.57   1.0   0.02   4.10) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.31 +/- 0.39   0.198% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  22.39 +/- 2.48   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.14 +/- 1.03   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 25.1:
        T HD2   PRO   58 - QB    ALA   57   2.29 +/- 0.22  94.165% * 98.8080% (0.95 10.00   5.07  25.09) =  99.998%  kept
          HB2   CYS   53 - QB    ALA   57   4.30 +/- 1.00   5.834% *  0.0356% (0.34  1.00   0.02   0.02) =   0.002%
        T HA    VAL   83 - QB    ALA   57  17.70 +/- 1.09   0.001% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.66 +/- 1.24   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.96 +/- 1.03   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.05 +/- 0.05  99.990% * 98.4865% (0.18  10.0   4.87  24.32) = 100.000%  kept
          HE21  GLN  116 - QB    ALA   57  11.65 +/- 2.04   0.007% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  14.57 +/- 1.93   0.001% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.49 +/- 1.05   0.001% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.83 +/- 1.27   0.000% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.55 +/- 1.22   0.001% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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  99.970% * 99.6015% (0.57  10.0   4.48  24.32) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  13.04 +/- 2.14   0.019% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.66 +/- 1.06   0.006% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  16.65 +/- 2.25   0.004% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  18.72 +/- 1.18   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  99.825% * 98.9094% (0.53  10.0 10.00   2.81  24.32) = 100.000%  kept
          HG3   PRO   93 - HA    ALA   57   7.95 +/- 2.16   0.137% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    ALA   57   9.25 +/- 1.10   0.027% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.55 +/- 1.04   0.009% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.13 +/- 0.92   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  14.84 +/- 1.37   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  17.79 +/- 0.93   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.25 +/- 1.51   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  16.71 +/- 1.24   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  24.13 +/- 2.21   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  22.04 +/- 1.57   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.54 +/- 1.22   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.04 +/- 0.39  95.389% *  5.7685% (0.15   0.02   0.02) =  86.066%  kept
          HN    SER   85 - HB2   PRO   58  26.64 +/- 0.98   0.831% * 29.9364% (0.80   0.02   0.02) =   3.891%  kept
          HN    LEU   80 - HB2   PRO   58  22.84 +/- 1.06   2.094% * 11.5391% (0.31   0.02   0.02) =   3.779%  kept
          HN    GLN   32 - HB2   PRO   58  27.92 +/- 1.04   0.642% * 37.3861% (1.00   0.02   0.02) =   3.753%  kept
          HN    ALA   34 - HB2   PRO   58  25.74 +/- 0.95   1.045% * 15.3699% (0.41   0.02   0.02) =   2.511%  kept
    Distance limit 3.86 A violated in 20 structures by 8.08 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 6.29, residual support = 40.5:
      O   HN    PHE   59 - HB3   PRO   58   4.06 +/- 0.31  93.965% * 99.6725% (0.61  10.0   6.29  40.47) =  99.994%  kept
          QE    PHE   59 - HB3   PRO   58   8.25 +/- 1.54   2.738% *  0.1360% (0.83   1.0   0.02  40.47) =   0.004%
          QD    PHE   60 - HB3   PRO   58   7.78 +/- 0.77   2.715% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.21 +/- 0.62   0.408% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  14.74 +/- 1.94   0.172% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  28.32 +/- 2.20   0.001% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.27 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   2.33 +/- 0.12  99.975% * 99.7269% (0.95  10.0   5.39 147.14) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.67 +/- 0.84   0.024% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.14 +/- 1.00   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.02 +/- 1.61   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.41 +/- 1.19   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  99.864% * 99.2991% (0.76  10.0   4.50 147.14) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.63 +/- 1.22   0.097% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  16.19 +/- 1.19   0.021% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.93 +/- 1.07   0.011% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  21.59 +/- 1.24   0.004% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  22.64 +/- 1.00   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  27.68 +/- 1.88   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.21 +/- 1.05   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.63, residual support = 25.1:
          HN    ALA   57 - HD2   PRO   58   1.96 +/- 0.27  99.970% * 98.5991% (0.54   5.63  25.09) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  11.39 +/- 2.59   0.027% *  0.4001% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  13.98 +/- 1.43   0.002% *  0.5968% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  18.14 +/- 1.74   0.000% *  0.2321% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  18.83 +/- 2.22   0.000% *  0.1719% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 147.1:
      O   HA    PRO   58 - HD3   PRO   58   3.97 +/- 0.04  97.828% * 99.2639% (0.72  10.0   6.52 147.14) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.20 +/- 1.13   0.407% *  0.1254% (0.91   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD3   PRO   58  15.29 +/- 1.14   0.033% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.93 +/- 0.97   0.474% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.10 +/- 1.21   0.451% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.57 +/- 1.49   0.416% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.66 +/- 1.08   0.029% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  20.62 +/- 1.19   0.005% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.06 +/- 1.84   0.214% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  20.79 +/- 1.06   0.005% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  14.66 +/- 1.61   0.051% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.12 +/- 1.62   0.040% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.84 +/- 0.99   0.039% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  26.96 +/- 1.72   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.61 +/- 1.08   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.24 +/- 1.53   0.006% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.95, residual support = 25.1:
          HN    ALA   57 - HD3   PRO   58   2.15 +/- 0.13  99.904% * 97.9089% (0.54   3.95  25.09) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58  10.22 +/- 2.45   0.075% *  0.5658% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.62 +/- 1.42   0.004% *  0.8441% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  16.95 +/- 1.51   0.001% *  0.3283% (0.36   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  11.79 +/- 2.12   0.008% *  0.0145% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.20 +/- 1.59   0.003% *  0.0374% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  18.81 +/- 2.18   0.000% *  0.2432% (0.26   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.46 +/- 2.38   0.001% *  0.0250% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.11 +/- 1.67   0.003% *  0.0108% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.47 +/- 1.24   0.000% *  0.0219% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.1:
          QB    ALA   57 - HD3   PRO   58   3.28 +/- 0.33  98.797% * 96.7335% (0.87   3.30  25.09) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  12.47 +/- 1.11   0.047% *  0.6298% (0.94   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  10.93 +/- 0.76   0.095% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  13.16 +/- 1.38   0.034% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  10.42 +/- 2.86   0.592% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.47 +/- 1.70   0.013% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.91 +/- 1.37   0.016% *  0.3343% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.43 +/- 1.46   0.269% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.70 +/- 1.52   0.049% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  20.67 +/- 1.01   0.002% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.49 +/- 2.02   0.045% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  15.55 +/- 1.66   0.012% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  24.14 +/- 1.61   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.25 +/- 2.13   0.016% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.50 +/- 0.91   0.010% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  24.98 +/- 2.06   0.001% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.86 +/- 2.65   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  26.12 +/- 2.14   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 25.1:
        T QB    ALA   57 - HD2   PRO   58   2.29 +/- 0.22  99.978% * 97.4262% (0.87 10.00   5.07  25.09) = 100.000%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.84 +/- 0.83   0.011% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   PRO   58  12.74 +/- 1.08   0.005% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  14.24 +/- 1.34   0.002% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  16.56 +/- 2.02   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.10 +/- 0.98   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.36 +/- 1.32   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  25.98 +/- 2.13   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.76 +/- 1.59   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 147.1:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.982% * 99.6708% (0.89  10.0 10.00   7.73 147.14) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.62 +/- 0.69   0.017% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.98 +/- 1.15   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  22.58 +/- 1.02   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.64 +/- 2.22   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.04 +/- 1.53   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.54 +/- 1.44   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.62 +/- 1.20   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.39 +/- 1.79   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  27.86 +/- 2.33   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  99.992% * 99.5891% (0.95  10.0 10.00   7.73 147.14) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.63 +/- 0.46   0.007% *  0.0446% (0.42   1.0  1.00   0.02   1.04) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.98 +/- 1.15   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.12 +/- 1.03   0.000% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.65, residual support = 40.5:
          HN    PHE   59 - HD2   PRO   58   3.62 +/- 0.30  98.791% * 99.0692% (0.69   6.65  40.47) =  99.998%  kept
          QE    PHE   59 - HD2   PRO   58   8.22 +/- 1.13   1.186% *  0.1400% (0.32   0.02  40.47) =   0.002%
          HN    HIS  122 - HD2   PRO   58  15.87 +/- 1.47   0.023% *  0.4024% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  25.97 +/- 2.35   0.001% *  0.3884% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.8:
        T QG1   ILE   56 - HB3   PHE   59   2.99 +/- 0.55  99.994% * 99.6917% (0.53 10.00   3.00  20.76) = 100.000%  kept
          HB3   LYS+  99 - HB3   PHE   59  17.74 +/- 1.41   0.004% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB3   PHE   59  18.69 +/- 1.07   0.002% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 0.655, residual support = 5.64:
          HB3   ASP-  62 - HB3   PHE   59   4.91 +/- 0.68  58.432% * 60.3136% (0.45   0.75   6.58) =  84.410%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.62 +/- 2.80  29.330% * 16.5332% (0.80   0.12   0.02) =  11.614%  kept
          HB    VAL  107 - HB3   PHE   59   7.29 +/- 1.61  12.076% * 13.7066% (0.38   0.20   1.99) =   3.964%  kept
          HB3   PHE   45 - HB3   PHE   59  12.88 +/- 1.26   0.156% *  2.8726% (0.80   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HB3   PHE   59  23.14 +/- 1.73   0.004% *  3.1118% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.03 +/- 1.43   0.002% *  3.4621% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.8:
        T QG1   ILE   56 - HB2   PHE   59   2.33 +/- 0.39  99.992% * 99.0024% (0.18 10.00   2.49  20.76) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  12.88 +/- 0.91   0.006% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.99 +/- 1.24   0.001% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  17.73 +/- 1.24   0.001% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.46 +/- 1.26   0.001% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  22.20 +/- 1.29   0.000% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.2:
      O   HN    PHE   59 - HB3   PHE   59   2.54 +/- 0.45  99.961% * 99.4232% (0.31  10.0   4.98  58.17) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.65 +/- 0.99   0.039% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  23.85 +/- 2.45   0.000% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.2:
      O   HN    PHE   59 - HB2   PHE   59   2.39 +/- 0.46  96.166% * 99.7763% (1.00  10.0   4.37  58.17) =  99.997%  kept
          QE    PHE   59 - HB2   PHE   59   4.48 +/- 0.04   3.763% *  0.0799% (0.80   1.0   0.02  58.17) =   0.003%
          HN    LYS+  66 - HB2   PHE   59   9.76 +/- 0.64   0.048% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB2   PHE   59  11.11 +/- 0.93   0.023% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  23.30 +/- 2.59   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.58:
          HB2   ASP-  62 - HA    PHE   59   3.30 +/- 0.20  99.912% * 97.0773% (0.99  1.00   1.50   6.58) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.53 +/- 1.02   0.066% *  2.2871% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   PRO   52 - HA    PHE   59  13.76 +/- 0.75   0.022% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.58:
          HB3   ASP-  62 - HA    PHE   59   2.43 +/- 0.76  99.703% * 85.4423% (0.18  1.00   2.96   6.58) =  99.996%  kept
          HG3   GLN  116 - HA    PHE   59   8.50 +/- 1.38   0.290% *  1.1256% (0.34  1.00   0.02   0.40) =   0.004%
          HG3   MET   96 - HA    PHE   59  15.59 +/- 1.31   0.007% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  22.16 +/- 1.33   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  27.90 +/- 1.91   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 58.2:
      O   HN    PHE   59 - HA    PHE   59   2.78 +/- 0.05  95.333% * 99.7763% (1.00  10.0   4.96  58.17) =  99.996%  kept
          QE    PHE   59 - HA    PHE   59   4.72 +/- 0.31   4.330% *  0.0799% (0.80   1.0   0.02  58.17) =   0.004%
          HN    LYS+  66 - HA    PHE   59   7.52 +/- 0.68   0.274% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59  10.07 +/- 1.06   0.062% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  25.46 +/- 2.51   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 20.4:
          HN    PHE   60 - HB3   PHE   59   3.42 +/- 0.51  93.467% * 98.7558% (0.61   4.01  20.40) =  99.987%  kept
          HN    GLN  116 - HB3   PHE   59   6.65 +/- 1.08   5.009% *  0.1424% (0.18   0.02   0.40) =   0.008%
          HN    THR  118 - HB3   PHE   59   8.05 +/- 1.15   1.521% *  0.3051% (0.38   0.02  10.45) =   0.005%
          HN    GLU-  15 - HB3   PHE   59  20.52 +/- 0.92   0.003% *  0.7968% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.993, support = 3.92, residual support = 71.5:
          QD    PHE   60 - HA    PHE   60   2.44 +/- 0.43  92.715% * 91.3361% (1.00   3.93  71.84) =  99.335%  kept
          QE    PHE   59 - HA    PHE   60   5.34 +/- 1.77   7.116% *  7.9533% (0.25   1.37  20.40) =   0.664%  kept
          HN    LYS+  66 - HA    PHE   60   7.54 +/- 0.42   0.169% *  0.3379% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  21.28 +/- 1.54   0.000% *  0.3727% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 71.8:
      O   HN    PHE   60 - HA    PHE   60   2.79 +/- 0.04  99.920% * 99.7483% (0.61  10.0   4.94  71.84) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.57 +/- 0.99   0.040% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.62 +/- 0.84   0.037% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  16.32 +/- 1.06   0.003% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 41.9:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.01  99.955% * 99.5823% (0.84  10.0   4.99  41.93) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  15.80 +/- 1.19   0.017% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.20 +/- 0.73   0.009% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.02 +/- 1.36   0.008% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  18.34 +/- 1.35   0.007% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  21.96 +/- 1.44   0.002% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.77 +/- 0.99   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.748, residual support = 0.746:
          HA    ALA   57 - HB2   PHE   60   3.19 +/- 0.46  98.634% * 42.7977% (0.15   0.75   0.75) =  99.766%  kept
          HA    ASP-  44 - HB2   PHE   60   7.52 +/- 0.95   1.307% *  7.3803% (1.00   0.02   0.70) =   0.228%
          HB    THR   77 - HB2   PHE   60  14.46 +/- 0.87   0.015% *  7.2502% (0.98   0.02   0.02) =   0.003%
          HA1   GLY   51 - HB2   PHE   60  13.20 +/- 0.83   0.024% *  2.7761% (0.38   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   PHE   60  17.78 +/- 1.06   0.005% *  6.8280% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  17.05 +/- 1.34   0.006% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  19.39 +/- 1.27   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   PHE   60  22.18 +/- 0.88   0.001% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  19.46 +/- 1.09   0.003% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  23.09 +/- 1.06   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  25.40 +/- 1.22   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  29.05 +/- 1.14   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 71.8:
      O   QD    PHE   60 - HB2   PHE   60   2.42 +/- 0.18  99.927% * 99.7759% (0.76  10.0   3.76  71.84) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.29 +/- 0.37   0.034% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.49 +/- 0.73   0.037% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.07 +/- 0.87   0.002% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  20.13 +/- 1.11   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.91, residual support = 41.9:
          HN    ALA   61 - HB2   PHE   60   2.57 +/- 0.29  99.991% * 95.7464% (0.38   4.91  41.93) = 100.000%  kept
          HN    ALA   91 - HB2   PHE   60  14.46 +/- 1.46   0.005% *  0.4662% (0.45   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  17.98 +/- 1.01   0.001% *  0.9326% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.80 +/- 0.81   0.001% *  0.8326% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.45 +/- 1.45   0.001% *  0.9599% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.98 +/- 1.27   0.000% *  0.3547% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.91 +/- 1.10   0.000% *  0.5471% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  21.87 +/- 1.25   0.000% *  0.1604% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 71.8:
      O   HN    PHE   60 - HB2   PHE   60   2.09 +/- 0.20  99.992% * 99.7483% (0.61  10.0   4.80  71.84) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.35 +/- 0.86   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.59 +/- 0.74   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  17.41 +/- 1.01   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.19, residual support = 11.7:
        T QD1   LEU   63 - HA    PHE   60   2.84 +/- 0.51  93.604% * 98.2281% (1.00 10.00   3.19  11.67) =  99.995%  kept
          QD2   LEU   63 - HA    PHE   60   4.93 +/- 0.36   5.179% *  0.0556% (0.57  1.00   0.02  11.67) =   0.003%
          QD2   LEU  115 - HA    PHE   60   6.61 +/- 1.17   1.121% *  0.0820% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    PHE   60  10.83 +/- 0.87   0.058% *  0.9823% (1.00 10.00   0.02   1.38) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  12.51 +/- 0.91   0.021% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  15.36 +/- 2.65   0.010% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  15.26 +/- 1.67   0.008% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.7:
        T HB2   LEU   63 - HA    PHE   60   2.80 +/- 0.44  95.671% * 98.8172% (0.92 10.00   1.50  11.67) =  99.994%  kept
          HB3   ASP-  44 - HA    PHE   60   5.82 +/- 1.46   3.766% *  0.1399% (0.98  1.00   0.02   0.70) =   0.006%
          HB3   PRO   93 - HA    PHE   60   7.80 +/- 1.23   0.450% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    PHE   60  14.18 +/- 1.00   0.010% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.38 +/- 1.48   0.008% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  10.93 +/- 1.14   0.051% *  0.0220% (0.15  1.00   0.02   1.38) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.32 +/- 1.61   0.009% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.17 +/- 1.35   0.015% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  16.23 +/- 0.82   0.004% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.57 +/- 0.94   0.010% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  19.34 +/- 2.45   0.002% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.07 +/- 1.03   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.27 +/- 1.19   0.003% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.47 +/- 1.85   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.07 +/- 1.35   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.343, support = 0.748, residual support = 2.15:
        T QG2   VAL   18 - HA    ALA   61   4.46 +/- 1.09  90.322% * 84.1082% (0.34 10.00   0.75   2.17) =  99.209%  kept
          QD1   ILE   56 - HA    ALA   61   8.35 +/- 1.02   6.425% *  9.1257% (0.61  1.00   0.46   0.02) =   0.766%  kept
        T QG1   VAL   41 - HA    ALA   61  13.59 +/- 0.81   0.178% *  5.0250% (0.76 10.00   0.02   0.02) =   0.012%
          QD2   LEU   73 - HA    ALA   61  10.05 +/- 0.74   1.029% *  0.5704% (0.87  1.00   0.02   0.02) =   0.008%
          QG2   THR   46 - HA    ALA   61   9.62 +/- 0.88   1.628% *  0.1640% (0.25  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HA    ALA   61  11.84 +/- 0.72   0.392% *  0.3723% (0.57  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    ALA   61  18.64 +/- 1.10   0.026% *  0.6346% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 13 structures by 1.53 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.57, residual support = 7.5:
        T QB    ALA   64 - HA    ALA   61   2.85 +/- 0.32  99.895% * 98.7496% (0.34 10.00   2.57   7.50) = 100.000%  kept
        T QG1   VAL   75 - HA    ALA   61  12.31 +/- 0.69   0.020% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
          QD1   LEU  115 - HA    ALA   61   9.70 +/- 1.15   0.085% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.5:
          HN    ALA   64 - HA    ALA   61   3.44 +/- 0.15 100.000% *100.0000% (0.84   0.75   7.50) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.76, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.82 +/- 0.04  99.994% * 98.9218% (0.38  10.0   2.76  17.99) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  18.04 +/- 1.02   0.002% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.75 +/- 1.02   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  18.42 +/- 1.66   0.002% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  21.16 +/- 0.91   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.58 +/- 0.84   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.29 +/- 1.30   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  25.16 +/- 1.12   0.000% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.81, residual support = 71.8:
      O   QD    PHE   60 - HB3   PHE   60   2.62 +/- 0.14  95.674% * 99.6845% (0.73  10.0   3.81  71.84) =  99.997%  kept
          QE    PHE   59 - HB3   PHE   60   6.61 +/- 1.90   2.916% *  0.0888% (0.65   1.0   0.02  20.40) =   0.003%
          HN    PHE   59 - HB3   PHE   60   5.49 +/- 0.40   1.362% *  0.0382% (0.28   1.0   0.02  20.40) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.40 +/- 0.42   0.048% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  19.59 +/- 1.41   0.001% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 71.8:
      O   HN    PHE   60 - HB3   PHE   60   2.87 +/- 0.38  99.996% * 99.5797% (0.20  10.0   4.94  71.84) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  17.01 +/- 1.36   0.004% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.816, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.26 +/- 1.25  29.901% * 23.9067% (0.95   0.02   0.02) =  39.978%  kept
          HN    THR   39 - HB3   PHE   60  19.36 +/- 1.46  15.594% * 23.3294% (0.92   0.02   0.02) =  20.346%  kept
          HN    TRP   27 - HB3   PHE   60  16.66 +/- 0.84  35.651% *  8.6206% (0.34   0.02   0.02) =  17.188%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.77 +/- 1.41  13.244% * 20.2366% (0.80   0.02   0.02) =  14.989%  kept
          HN    GLU-  36 - HB3   PHE   60  22.71 +/- 1.12   5.609% * 23.9067% (0.95   0.02   0.02) =   7.499%  kept
    Distance limit 3.57 A violated in 20 structures by 10.42 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 = 5.02:
          HA    LYS+  81 - QB    ALA   84   2.13 +/- 0.15  99.996% * 55.2208% (0.33  1.00   2.00   5.02) = 100.000%  kept
        T HA    ASN   28 - QB    ALA   84  15.05 +/- 2.33   0.001% * 14.9440% (0.89 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  14.85 +/- 1.00   0.001% *  1.4042% (0.84  1.00   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  21.74 +/- 1.57   0.000% * 12.3718% (0.74 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  18.34 +/- 1.52   0.000% *  1.4518% (0.87  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  15.19 +/- 1.71   0.001% *  0.2498% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  28.63 +/- 1.10   0.000% * 12.3718% (0.74 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  21.21 +/- 2.73   0.000% *  0.9165% (0.55  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  20.77 +/- 1.81   0.000% *  0.6655% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  25.89 +/- 1.86   0.000% *  0.4037% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.185, support = 2.21, residual support = 19.2:
          HA    SER   85 - QB    ALA   84   3.80 +/- 0.05  39.535% * 37.9628% (0.15  1.00   2.33  20.52) =  93.555%  kept
          HA    ASP-  86 - QB    ALA   84   6.43 +/- 0.06   1.652% * 50.7254% (0.84  1.00   0.55   0.02) =   5.222%  kept
          HB    THR   77 - QB    ALA   84   3.74 +/- 1.46  57.605% *  0.3258% (0.15  1.00   0.02   0.02) =   1.170%  kept
          HA    TRP   87 - QB    ALA   84   6.82 +/- 0.15   1.166% *  0.5871% (0.27  1.00   0.02   0.02) =   0.043%
        T HA    ASP-  44 - QB    ALA   84  11.91 +/- 0.69   0.040% *  4.1785% (0.19 10.00   0.02   0.02) =   0.010%
          HA    LEU  104 - QB    ALA   84  22.07 +/- 1.73   0.001% *  2.0377% (0.93  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    ALA   84  25.23 +/- 0.89   0.000% *  1.9491% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  29.52 +/- 1.39   0.000% *  1.7636% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  32.06 +/- 1.56   0.000% *  0.4701% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.31, residual support = 18.5:
      O   HN    ALA   84 - QB    ALA   84   2.06 +/- 0.06  99.978% * 98.8488% (0.30  10.0   4.31  18.54) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.90 +/- 0.34   0.016% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  13.44 +/- 2.46   0.002% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.48 +/- 1.32   0.003% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.15 +/- 0.79   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  16.39 +/- 1.40   0.000% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  18.99 +/- 0.73   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.5:
          HN    SER   85 - QB    ALA   84   2.57 +/- 0.14  96.558% * 98.8040% (0.77   3.87  20.52) =  99.993%  kept
          HN    LEU   80 - QB    ALA   84   4.66 +/- 0.63   3.429% *  0.1970% (0.30   0.02   0.02) =   0.007%
          HN    CYS   53 - QB    ALA   84  12.02 +/- 0.99   0.012% *  0.0985% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    ALA   84  19.10 +/- 2.20   0.001% *  0.6382% (0.97   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  20.43 +/- 1.78   0.000% *  0.2624% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.696, support = 0.92, residual support = 9.97:
          HN    ALA  124 - QB    ALA  120   3.53 +/- 0.78  73.788% * 40.7694% (0.57   0.96   1.30) =  66.348%  kept
          HN    LEU  123 - QB    ALA  120   4.15 +/- 0.15  26.211% * 58.2141% (0.94   0.84  27.07) =  33.652%  kept
          HE21  GLN   17 - QB    ALA  120  20.24 +/- 1.25   0.002% *  1.0165% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 2 structures by 0.47 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.06, residual support = 5.54:
        T HA    SER  117 - QB    ALA  120   3.02 +/- 0.42  99.958% * 99.1094% (0.54 10.00   2.06   5.54) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.20 +/- 0.97   0.012% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.07 +/- 1.72   0.007% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  13.49 +/- 1.39   0.021% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.62 +/- 0.80   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.31 +/- 1.24   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  25.85 +/- 0.89   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.02, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.06 +/- 0.09  99.973% * 99.3531% (0.97  10.0   4.02  17.99) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   9.68 +/- 1.62   0.015% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  10.95 +/- 2.28   0.008% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.43 +/- 1.60   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  15.63 +/- 2.16   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.61 +/- 0.91   0.000% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.93 +/- 1.88   0.002% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.83 +/- 1.51   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.59 +/- 0.82   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  18.40 +/- 0.81   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  21.77 +/- 0.96   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.79 +/- 1.16   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.67 +/- 0.21  99.803% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.17 +/- 1.72   0.090% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.04 +/- 0.83   0.041% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61  10.09 +/- 0.74   0.040% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.88 +/- 2.12   0.012% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.31 +/- 1.60   0.013% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  18.67 +/- 1.07   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  20.43 +/- 1.58   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 = 0.992, support = 2.77, residual support = 8.26:
          HN    ASP-  62 - QB    ALA   61   2.81 +/- 0.12  92.379% * 86.2271% (1.00   2.79   8.32) =  99.200%  kept
          HN    PHE   55 - QB    ALA  110   5.94 +/- 2.80   5.995% * 10.6011% (0.33   1.03   0.27) =   0.791%  kept
          HN    ARG+  54 - QB    ALA  110   7.14 +/- 2.97   1.399% *  0.3979% (0.64   0.02   0.02) =   0.007%
          HN    ARG+  54 - QB    ALA   61   9.49 +/- 1.00   0.109% *  0.5377% (0.87   0.02   0.02) =   0.001%
          HN    PHE   55 - QB    ALA   61   9.35 +/- 0.77   0.089% *  0.2779% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  11.65 +/- 2.01   0.026% *  0.4577% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  17.93 +/- 0.82   0.001% *  0.6076% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  21.21 +/- 1.06   0.001% *  0.4496% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.61 +/- 0.72   0.001% *  0.2548% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.23 +/- 1.01   0.000% *  0.1886% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.88, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.27 +/- 1.60  47.954% * 28.1529% (1.00   0.02   0.02) =  56.212%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.07 +/- 1.28  36.900% * 21.5631% (0.76   0.02   0.02) =  33.130%  kept
          HA    ALA   12 - HB2   ASP-  62  24.67 +/- 1.46   8.026% * 18.2527% (0.65   0.02   0.02) =   6.100%  kept
          HA    ASP-  86 - HB2   ASP-  62  29.12 +/- 1.39   2.881% * 19.3814% (0.69   0.02   0.02) =   2.325%  kept
          HA    TRP   87 - HB2   ASP-  62  27.33 +/- 1.15   4.239% * 12.6499% (0.45   0.02   0.02) =   2.233%  kept
    Distance limit 3.41 A violated in 20 structures by 12.59 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.826, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.18 +/- 1.28  49.016% * 10.2586% (0.98  1.00   0.02   0.02) =  46.038%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.26 +/- 1.21  35.073% *  7.8573% (0.75  1.00   0.02   0.02) =  25.232%  kept
        T HA    ASP-  86 - HB3   ASP-  62  28.31 +/- 1.51   3.412% * 70.6236% (0.67 10.00   0.02   0.02) =  22.065%  kept
          HA    ALA   12 - HB3   ASP-  62  24.96 +/- 1.37   7.439% *  6.6511% (0.63  1.00   0.02   0.02) =   4.530%  kept
          HA    TRP   87 - HB3   ASP-  62  26.52 +/- 1.25   5.060% *  4.6095% (0.44  1.00   0.02   0.02) =   2.135%  kept
    Distance limit 3.15 A violated in 20 structures by 12.89 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.75, residual support = 3.24:
          HN    LYS+  65 - HA    ASP-  62   3.39 +/- 0.20 100.000% *100.0000% (0.15   0.75   3.24) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.79 +/- 0.03  99.986% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.56 +/- 0.73   0.005% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.66 +/- 0.46   0.007% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  22.17 +/- 0.85   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.33 +/- 0.66   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 42.4:
          HN    LEU   63 - HB2   ASP-  62   3.37 +/- 0.55  99.789% * 98.7100% (0.97   5.23  42.37) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.48 +/- 0.60   0.173% *  0.3508% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  14.10 +/- 1.58   0.034% *  0.2058% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  23.30 +/- 0.90   0.001% *  0.2687% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  25.86 +/- 2.30   0.001% *  0.1904% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  25.32 +/- 1.00   0.001% *  0.2058% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.50 +/- 1.44   0.000% *  0.0685% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.08 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   2.92 +/- 0.41  99.988% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.73 +/- 0.81   0.010% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  22.87 +/- 1.20   0.001% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.65 +/- 1.05   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   2.91 +/- 0.40  99.871% * 98.7100% (0.95   5.23  42.37) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62   9.64 +/- 0.44   0.114% *  0.3508% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.41 +/- 1.94   0.014% *  0.2058% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  22.84 +/- 1.00   0.001% *  0.2687% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  24.48 +/- 1.11   0.000% *  0.2058% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  25.15 +/- 2.42   0.000% *  0.1904% (0.48   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.35 +/- 1.49   0.000% *  0.0685% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.24 +/- 0.18  99.991% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  12.89 +/- 0.57   0.003% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  11.68 +/- 0.47   0.005% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.37 +/- 0.99   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  22.93 +/- 0.85   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.968, support = 2.06, residual support = 5.19:
          QB    LYS+  66 - HA    LEU   63   3.13 +/- 0.88  90.012% * 47.8935% (1.00   1.94   5.49) =  92.573%  kept
          QB    LYS+  65 - HA    LEU   63   5.34 +/- 0.43   6.953% * 49.6220% (0.57   3.54   1.46) =   7.408%  kept
          HG    LEU  123 - HA    LEU   63   7.79 +/- 2.23   2.179% *  0.2800% (0.57   0.02   0.02) =   0.013%
          HB2   LEU   71 - HA    LEU   63  11.76 +/- 2.07   0.813% *  0.2602% (0.53   0.02   0.02) =   0.005%
          HB    VAL   41 - HA    LEU   63  13.70 +/- 0.82   0.017% *  0.4679% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.17 +/- 1.54   0.012% *  0.4436% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.46 +/- 1.43   0.005% *  0.4131% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.63 +/- 1.14   0.005% *  0.3397% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  17.24 +/- 1.28   0.004% *  0.2800% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.538, support = 1.58, residual support = 5.65:
          HN    LYS+  66 - HA    LEU   63   3.54 +/- 0.31  91.029% * 46.2254% (0.53   1.61   5.49) =  96.239%  kept
          QD    PHE   60 - HA    LEU   63   6.69 +/- 0.51   2.850% * 48.4261% (0.97   0.92  11.67) =   3.157%  kept
          QE    PHE   59 - HA    LEU   63   6.25 +/- 1.17   6.120% *  4.3133% (0.14   0.58   0.18) =   0.604%  kept
          HN    LYS+  81 - HA    LEU   63  26.03 +/- 1.64   0.001% *  1.0352% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.44, residual support = 240.2:
      O   HN    LEU   63 - HA    LEU   63   2.79 +/- 0.03  99.981% * 99.6457% (1.00  10.0   7.44 240.22) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  12.71 +/- 0.60   0.012% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.81 +/- 1.85   0.006% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  20.25 +/- 0.94   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  24.43 +/- 1.46   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  24.13 +/- 2.62   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.63 +/- 1.32   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.7:
        T HA    PHE   60 - HB2   LEU   63   2.80 +/- 0.44  99.403% * 98.4768% (0.49 10.00   1.50  11.67) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63  10.66 +/- 1.46   0.168% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.77 +/- 0.21   0.292% *  0.0472% (0.18  1.00   0.02   1.46) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.55 +/- 1.03   0.032% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.28 +/- 1.01   0.025% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.00 +/- 1.44   0.023% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.35 +/- 1.26   0.052% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.69 +/- 0.89   0.002% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  17.59 +/- 1.01   0.002% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  23.36 +/- 1.28   0.000% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 53.6:
          HN    ALA   64 - HB2   LEU   63   2.94 +/- 0.24 100.000% *100.0000% (0.57   6.73  53.60) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.71, residual support = 18.0:
          QE    PHE   72 - HB2   LEU   63   3.99 +/- 1.39  99.655% * 99.3650% (0.99   2.71  18.01) =  99.999%  kept
          HN    ALA   47 - HB2   LEU   63  13.57 +/- 0.97   0.303% *  0.3313% (0.45   0.02   0.02) =   0.001%
          HD22  ASN   28 - HB2   LEU   63  19.00 +/- 1.08   0.042% *  0.3038% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 4 structures by 0.54 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.81, residual support = 240.2:
      O   HN    LEU   63 - HB2   LEU   63   2.10 +/- 0.10  99.990% * 99.6457% (1.00  10.0   7.81 240.22) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  10.68 +/- 0.74   0.007% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  13.18 +/- 1.86   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  18.42 +/- 1.04   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  21.72 +/- 1.51   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  21.81 +/- 2.46   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  24.87 +/- 1.55   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.4:
          HN    ASP-  62 - HB2   LEU   63   4.41 +/- 0.11  99.699% * 98.5491% (0.76   4.54  42.37) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.02 +/- 0.65   0.156% *  0.5094% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  13.73 +/- 0.80   0.116% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.84 +/- 1.09   0.025% *  0.4745% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  24.18 +/- 1.28   0.004% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.76, residual support = 53.6:
          HN    ALA   64 - HB3   LEU   63   3.32 +/- 0.39 100.000% *100.0000% (0.57   6.76  53.60) = 100.000%  kept
    Distance limit 4.01 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 = 2.87, residual support = 18.0:
        T HZ    PHE   72 - HB3   LEU   63   3.85 +/- 1.59  99.720% * 99.9822% (0.87 10.00   2.87  18.01) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.20 +/- 1.28   0.280% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 4 structures by 0.58 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.46, residual support = 240.2:
      O   HN    LEU   63 - HB3   LEU   63   3.38 +/- 0.10  99.916% * 99.6457% (1.00  10.0   7.46 240.22) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.27 +/- 0.79   0.049% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  14.15 +/- 1.97   0.026% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  17.85 +/- 1.23   0.005% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  22.24 +/- 1.79   0.001% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  21.91 +/- 2.69   0.002% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.72 +/- 1.59   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 = 7.39, residual support = 240.2:
          HN    LEU   63 - HG    LEU   63   3.18 +/- 0.39  98.537% * 98.9188% (0.76   7.39 240.22) =  99.999%  kept
          QE    PHE   60 - HG    LEU   63   7.49 +/- 0.94   1.355% *  0.0693% (0.20   0.02  11.67) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.09 +/- 1.03   0.067% *  0.2265% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.54 +/- 1.75   0.036% *  0.0973% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  19.53 +/- 1.23   0.003% *  0.3232% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  22.51 +/- 2.93   0.001% *  0.2676% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  22.97 +/- 1.84   0.001% *  0.0973% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.19, residual support = 11.7:
        T HA    PHE   60 - QD1   LEU   63   2.84 +/- 0.51  93.873% * 88.3934% (0.14 10.00   3.19  11.67) =  99.982%  kept
          HA    LYS+ 121 - QD1   LEU  104   7.21 +/- 2.37   4.288% *  0.1476% (0.23  1.00   0.02   0.02) =   0.008%
          HA    ALA  120 - QD1   LEU   63   8.26 +/- 1.41   0.383% *  0.6178% (0.95  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - QD1   LEU   63   8.27 +/- 1.18   0.297% *  0.3962% (0.61  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   63   8.98 +/- 1.31   0.181% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.33 +/- 0.67   0.254% *  0.3698% (0.57  1.00   0.02   1.46) =   0.001%
          HA    LYS+ 121 - QD1   LEU   63   9.19 +/- 1.22   0.151% *  0.6029% (0.92  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   73  10.07 +/- 1.04   0.100% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  10.83 +/- 0.87   0.055% *  0.8839% (0.14 10.00   0.02   1.38) =   0.001%
          HA2   GLY   16 - QD1   LEU   63  11.09 +/- 1.40   0.056% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  10.13 +/- 2.10   0.133% *  0.1512% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.54 +/- 1.13   0.028% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.06 +/- 1.18   0.094% *  0.0970% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.38 +/- 0.81   0.008% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.51 +/- 0.91   0.021% *  0.2164% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.67 +/- 0.94   0.007% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  13.48 +/- 0.60   0.011% *  0.3698% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.71 +/- 0.85   0.007% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  14.93 +/- 1.60   0.007% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  16.59 +/- 1.35   0.004% *  0.6029% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.01 +/- 1.08   0.004% *  0.3962% (0.61  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.51 +/- 1.18   0.003% *  0.6178% (0.95  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.90 +/- 0.82   0.011% *  0.1543% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  14.81 +/- 1.66   0.011% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.56 +/- 0.94   0.001% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.48 +/- 1.13   0.008% *  0.0905% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  18.92 +/- 1.48   0.002% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.33 +/- 0.85   0.001% *  0.1595% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  22.45 +/- 2.08   0.001% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.74 +/- 0.76   0.000% *  0.1387% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.491, support = 0.0199, residual support = 23.0:
        T HZ3   TRP   27 - QD1   LEU   73   5.31 +/- 0.87  82.745% * 38.7648% (0.49 10.00   0.02  23.92) =  96.197%  kept
          HZ    PHE   45 - QD1   LEU   73   7.38 +/- 1.14  14.314% *  5.7830% (0.73  1.00   0.02   0.02) =   2.483%  kept
        T HZ3   TRP   27 - QD1   LEU   63  12.13 +/- 1.31   0.837% * 38.7648% (0.49 10.00   0.02   0.02) =   0.973%  kept
          HZ    PHE   45 - QD1   LEU   63  11.47 +/- 1.69   1.478% *  5.7830% (0.73  1.00   0.02   0.02) =   0.256%
        T HZ3   TRP   27 - QD1   LEU  104  14.28 +/- 0.93   0.268% *  9.4888% (0.12 10.00   0.02   0.02) =   0.076%
          HZ    PHE   45 - QD1   LEU  104  14.13 +/- 1.10   0.358% *  1.4156% (0.18  1.00   0.02   0.02) =   0.015%
    Distance limit 3.65 A violated in 16 structures by 1.49 A, eliminated.
    Peak unassigned.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.74, support = 1.08, residual support = 7.63:
          QD    PHE   60 - QD1   LEU   63   4.01 +/- 0.95  27.802% * 42.3736% (0.87   1.36  11.67) =  63.308%  kept
          QE    PHE   59 - QD1   LEU   63   3.13 +/- 1.25  66.552% *  9.0985% (0.49   0.52   0.18) =  32.540%  kept
          HN    LYS+  66 - QD1   LEU   63   6.23 +/- 0.64   1.466% * 41.1896% (0.95   1.21   5.49) =   3.245%  kept
          HN    PHE   59 - QD1   LEU   63   5.67 +/- 0.71   3.922% *  4.2782% (0.18   0.68   0.18) =   0.902%  kept
          QD    PHE   60 - QD1   LEU   73   9.15 +/- 0.89   0.114% *  0.6228% (0.87   0.02   1.38) =   0.004%
          HN    LYS+  66 - QD1   LEU   73  13.32 +/- 0.40   0.010% *  0.6792% (0.95   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  12.15 +/- 2.60   0.018% *  0.3495% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.22 +/- 2.12   0.065% *  0.0855% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.32 +/- 0.91   0.018% *  0.1524% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.50 +/- 1.20   0.016% *  0.1662% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  14.17 +/- 2.22   0.006% *  0.3777% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.01 +/- 0.90   0.005% *  0.1257% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  19.32 +/- 1.82   0.001% *  0.3777% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.33 +/- 1.11   0.004% *  0.0308% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  24.28 +/- 2.43   0.000% *  0.0925% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.766, support = 6.3, residual support = 227.8:
          HN    LEU   63 - QD1   LEU   63   3.37 +/- 0.51  78.295% * 68.8881% (0.76   6.55 240.22) =  94.719%  kept
          HD21  ASN   28 - QD1   LEU   73   4.99 +/- 0.41  10.364% * 24.3808% (0.92   1.92   3.14) =   4.437%  kept
          QE    PHE   60 - QD1   LEU   63   5.47 +/- 1.11   9.826% *  4.8694% (0.20   1.79  11.67) =   0.840%  kept
          HN    ILE   56 - QD1   LEU   63   8.67 +/- 0.85   0.364% *  0.1781% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.44 +/- 1.28   0.514% *  0.0545% (0.20   0.02   1.38) =   0.000%
          HZ2   TRP   87 - QD1   LEU   73  12.46 +/- 2.39   0.100% *  0.2104% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   63   9.62 +/- 1.74   0.275% *  0.0765% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.39 +/- 0.78   0.046% *  0.2104% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  14.98 +/- 1.39   0.018% *  0.2541% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  13.26 +/- 1.65   0.042% *  0.0765% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.32 +/- 0.96   0.050% *  0.0515% (0.19   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  17.19 +/- 2.74   0.011% *  0.2104% (0.76   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.13 +/- 0.95   0.009% *  0.1781% (0.65   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  14.82 +/- 0.91   0.014% *  0.0622% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.90 +/- 1.30   0.007% *  0.0765% (0.28   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  17.62 +/- 1.67   0.007% *  0.0765% (0.28   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.75 +/- 1.25   0.034% *  0.0133% (0.05   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  18.84 +/- 3.23   0.008% *  0.0515% (0.19   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.55 +/- 1.33   0.012% *  0.0187% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  17.87 +/- 0.87   0.004% *  0.0436% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  22.07 +/- 2.14   0.002% *  0.0187% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 20.9:
      O   HN    ALA   64 - HA    ALA   64   2.83 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.23  20.86) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.776, support = 3.03, residual support = 39.4:
        T QD    PHE   72 - HA    ALA   64   3.08 +/- 0.51  60.074% * 60.4788% (0.87 10.00   3.16  39.44) =  69.750%  kept
        T HZ    PHE   72 - HA    ALA   64   3.57 +/- 0.68  39.917% * 39.4733% (0.57 10.00   2.73  39.44) =  30.250%  kept
          QE    PHE   45 - HA    ALA   64  13.59 +/- 0.97   0.009% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.868, support = 0.968, residual support = 3.56:
          HN    LEU   67 - HA    ALA   64   3.80 +/- 0.56  94.902% * 80.1707% (0.87   0.98   3.60) =  99.089%  kept
          QE    PHE   95 - HA    ALA   64   8.20 +/- 1.80   5.010% * 13.9459% (0.98   0.15   0.02) =   0.910%  kept
          HN    THR   23 - HA    ALA   64  16.48 +/- 0.69   0.019% *  1.8776% (0.99   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    ALA   64  15.41 +/- 0.76   0.029% *  1.0725% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.08 +/- 0.62   0.022% *  1.2255% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  17.47 +/- 0.90   0.015% *  0.7110% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.21 +/- 1.99   0.003% *  0.9967% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.833, support = 2.27, residual support = 8.54:
          QG2   VAL   18 - QB    ALA   64   2.81 +/- 0.40  98.220% * 56.7206% (0.84   2.26   8.59) =  99.423%  kept
          QD2   LEU   73 - QB    ALA   64   6.53 +/- 0.53   0.784% * 40.8665% (0.38   3.63   0.28) =   0.572%  kept
          QG1   VAL   43 - QB    ALA   64   8.64 +/- 0.67   0.150% *  0.5878% (0.98   0.02   0.02) =   0.002%
          QD1   ILE   19 - QB    ALA   64   7.62 +/- 1.10   0.334% *  0.2251% (0.38   0.02   0.02) =   0.001%
          QG2   THR   46 - QB    ALA   64   8.82 +/- 0.81   0.154% *  0.4355% (0.73   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   9.24 +/- 0.68   0.102% *  0.5944% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   8.47 +/- 0.96   0.227% *  0.1050% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.39 +/- 0.98   0.010% *  0.3155% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.20 +/- 0.85   0.019% *  0.1495% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.92, support = 1.2, residual support = 6.47:
          QB    ALA   61 - QB    ALA   64   4.03 +/- 0.19  65.994% * 18.8083% (0.92   1.19   7.50) =  71.909%  kept
          HB3   LEU   67 - QB    ALA   64   5.33 +/- 0.54  14.748% * 21.4657% (0.99   1.27   3.60) =  18.341%  kept
          QG    LYS+  66 - QB    ALA   64   6.53 +/- 0.57   4.230% * 19.8688% (0.98   1.19   6.77) =   4.869%  kept
          HG    LEU   67 - QB    ALA   64   5.89 +/- 1.00  11.089% *  3.5258% (0.28   0.74   3.60) =   2.265%  kept
          HG    LEU   73 - QB    ALA   64   8.27 +/- 0.69   1.127% * 26.2310% (0.87   1.77   0.28) =   1.713%  kept
          HG12  ILE   19 - QB    ALA   64   7.85 +/- 0.98   1.727% *  8.9363% (0.65   0.81   0.02) =   0.894%  kept
          HG    LEU   40 - QB    ALA   64   9.48 +/- 1.28   0.625% *  0.1282% (0.38   0.02   0.02) =   0.005%
          QB    ALA  110 - QB    ALA   64  12.34 +/- 1.70   0.111% *  0.2480% (0.73   0.02   0.02) =   0.002%
          HB3   LEU  115 - QB    ALA   64  10.96 +/- 0.81   0.179% *  0.1282% (0.38   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    ALA   64  12.88 +/- 2.21   0.124% *  0.0527% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    ALA   64  16.87 +/- 1.95   0.015% *  0.2610% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.89 +/- 1.64   0.011% *  0.2610% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  16.10 +/- 1.52   0.019% *  0.0852% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.927, support = 1.81, residual support = 3.89:
          HB3   LEU   67 - HA    ALA   64   4.08 +/- 0.62  62.422% * 40.2319% (0.99   1.87   3.60) =  82.661%  kept
          HG    LEU   67 - HA    ALA   64   4.94 +/- 0.94  25.288% * 10.4279% (0.28   1.73   3.60) =   8.680%  kept
          QG    LYS+  66 - HA    ALA   64   6.70 +/- 0.71   6.176% * 32.1832% (0.98   1.51   6.77) =   6.542%  kept
          QB    ALA   61 - HA    ALA   64   6.51 +/- 0.16   4.253% * 15.0208% (0.92   0.75   7.50) =   2.103%  kept
          HG    LEU   73 - HA    ALA   64   9.98 +/- 0.72   0.378% *  0.3764% (0.87   0.02   0.28) =   0.005%
          HG    LEU   40 - HA    ALA   64   9.60 +/- 1.50   0.842% *  0.1629% (0.38   0.02   0.02) =   0.005%
          HG12  ILE   19 - HA    ALA   64   9.96 +/- 1.29   0.373% *  0.2807% (0.65   0.02   0.02) =   0.003%
          HB3   LEU  115 - HA    ALA   64  13.13 +/- 1.10   0.072% *  0.1629% (0.38   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  15.33 +/- 1.72   0.035% *  0.3151% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  13.85 +/- 2.92   0.144% *  0.0670% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.85 +/- 2.00   0.007% *  0.3316% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  21.52 +/- 2.77   0.004% *  0.3316% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  20.66 +/- 2.16   0.005% *  0.1082% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.75, residual support = 39.4:
        T HB3   PHE   72 - QB    ALA   64   3.36 +/- 0.51  94.718% * 99.3598% (0.76 10.00   2.75  39.44) =  99.994%  kept
          HB2   ASP-  44 - QB    ALA   64   6.29 +/- 0.80   3.287% *  0.1128% (0.87  1.00   0.02   0.02) =   0.004%
          QG    GLU-  15 - QB    ALA   64   7.47 +/- 1.12   1.445% *  0.1230% (0.95  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QB    ALA   64  10.27 +/- 1.34   0.204% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   9.39 +/- 1.03   0.308% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  16.73 +/- 1.18   0.008% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  17.35 +/- 1.17   0.007% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  15.73 +/- 1.81   0.017% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  18.03 +/- 1.72   0.005% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.57, residual support = 7.5:
        T HA    ALA   61 - QB    ALA   64   2.85 +/- 0.32  99.384% * 99.8142% (1.00 10.00   2.57   7.50) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   7.42 +/- 0.61   0.488% *  0.0923% (0.92  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   64   9.53 +/- 0.57   0.076% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.86 +/- 0.60   0.041% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  13.70 +/- 0.75   0.010% *  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 = 8.58:
          HA    VAL   18 - QB    ALA   64   3.94 +/- 0.70  96.657% * 92.8639% (0.90   1.84   8.59) =  99.982%  kept
          HA    VAL   70 - QB    ALA   64   7.75 +/- 0.86   2.914% *  0.4639% (0.41   0.02   0.02) =   0.015%
          HA    GLN  116 - QB    ALA   64  11.78 +/- 0.87   0.225% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    SER   48 - QB    ALA   64  14.90 +/- 1.21   0.058% *  1.0674% (0.95   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    ALA   64  15.09 +/- 1.24   0.051% *  0.5937% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  15.49 +/- 0.97   0.035% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  16.49 +/- 0.84   0.023% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.78 +/- 0.86   0.023% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  20.19 +/- 1.11   0.007% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  20.94 +/- 0.86   0.006% *  0.8623% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 5 structures by 0.48 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 2.44:
        T HA    GLN   17 - QB    ALA   64   3.75 +/- 0.91  97.103% * 94.1715% (0.49 10.00   1.22   2.45) =  99.929%  kept
        T HA    VAL   42 - QB    ALA   64   8.37 +/- 0.82   1.994% *  3.0997% (0.98 10.00   0.02   0.02) =   0.068%
        T HA    PHE   55 - QB    ALA   64  12.96 +/- 0.70   0.118% *  2.1722% (0.69 10.00   0.02   0.02) =   0.003%
          HA    THR   46 - QB    ALA   64  10.55 +/- 0.93   0.574% *  0.1300% (0.41  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   64  13.81 +/- 2.53   0.142% *  0.1187% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.30 +/- 0.86   0.042% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  17.50 +/- 1.34   0.027% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 2 structures by 0.28 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.59:
          HN    VAL   18 - QB    ALA   64   3.72 +/- 0.84  99.899% * 99.5979% (1.00   2.25   8.59) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.72 +/- 1.20   0.067% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.49 +/- 0.79   0.034% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 2 structures by 0.31 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 5.09, residual support = 39.4:
        T QD    PHE   72 - QB    ALA   64   2.68 +/- 0.44  94.914% * 85.9068% (0.87 10.00   5.09  39.44) =  99.138%  kept
          HZ    PHE   72 - QB    ALA   64   4.68 +/- 0.61   5.054% * 14.0252% (0.57  1.00   5.00  39.44) =   0.862%  kept
          QE    PHE   45 - QB    ALA   64  10.93 +/- 0.82   0.032% *  0.0680% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.23, residual support = 20.9:
      O   HN    ALA   64 - QB    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.57  10.0   4.23  20.86) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 164.0:
      O   HN    LYS+  65 - HA    LYS+  65   2.81 +/- 0.05  99.995% * 99.9887% (0.71  10.0   6.08 164.04) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.16 +/- 1.39   0.005% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65   7.45 +/- 1.91  64.673% * 34.8898% (0.87   0.02   0.02) =  94.772%  kept
          HN    SER  117 - HA    LYS+ 121   8.36 +/- 0.73  34.538% *  3.1809% (0.08   0.02   0.02) =   4.614%  kept
          HN    SER  117 - HA    LYS+  65  17.60 +/- 1.17   0.451% * 28.1870% (0.71   0.02   0.02) =   0.533%  kept
          HN    GLY   16 - HA    LYS+ 121  18.99 +/- 1.27   0.296% *  3.9373% (0.10   0.02   0.02) =   0.049%
          HN    SER   82 - HA    LYS+  65  27.76 +/- 1.03   0.026% * 26.7825% (0.67   0.02   0.02) =   0.029%
          HN    SER   82 - HA    LYS+ 121  31.84 +/- 2.75   0.017% *  3.0224% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.38 A violated in 20 structures by 3.28 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.63, residual support = 26.6:
          HN    LYS+  65 - QB    ALA   64   2.64 +/- 0.20 100.000% *100.0000% (0.31   4.63  26.64) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.06, residual support = 39.4:
          QE    PHE   72 - HA    ALA   64   2.70 +/- 0.42  99.999% * 99.3436% (0.65   4.06  39.44) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.71 +/- 0.71   0.001% *  0.6564% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.74, residual support = 3.24:
          HA    ASP-  62 - QB    LYS+  65   2.36 +/- 0.36  99.997% * 97.7735% (0.80   1.74   3.24) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.71 +/- 1.47   0.003% *  0.3118% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.88 +/- 0.97   0.000% *  0.7928% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.91 +/- 0.85   0.000% *  0.9059% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.37 +/- 0.85   0.000% *  0.2161% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.63, residual support = 164.0:
      O   HN    LYS+  65 - QB    LYS+  65   2.25 +/- 0.12 100.000% *100.0000% (0.76  10.0   6.63 164.04) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.88, residual support = 25.5:
          HN    LYS+  66 - QB    LYS+  65   2.90 +/- 0.24  99.481% * 98.6945% (0.53   5.88  25.52) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.56 +/- 0.68   0.407% *  0.6157% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.30 +/- 0.67   0.112% *  0.0863% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.43 +/- 1.01   0.000% *  0.6035% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.44, residual support = 164.0:
          HN    LYS+  65 - HG2   LYS+  65   2.88 +/- 0.54 100.000% *100.0000% (0.31   5.44 164.04) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 164.0:
      O T HA    LYS+  65 - HG3   LYS+  65   2.98 +/- 0.62  95.487% * 93.4743% (0.87  10.0 10.00   5.27 164.04) =  99.976%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.09 +/- 0.89   3.165% *  0.6392% (0.59   1.0 10.00   0.02  11.70) =   0.023%
          HA2   GLY   16 - HG3   LYS+  65   7.87 +/- 2.05   0.979% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 102  14.03 +/- 1.78   0.026% *  0.6024% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.45 +/- 2.54   0.092% *  0.0612% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  15.75 +/- 3.45   0.020% *  0.1187% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  19.44 +/- 2.32   0.002% *  0.8072% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.16 +/- 1.24   0.151% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.08 +/- 1.41   0.003% *  0.3107% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.61 +/- 1.25   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.84 +/- 1.89   0.014% *  0.0483% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.07 +/- 1.62   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.51 +/- 2.04   0.004% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  15.88 +/- 2.10   0.008% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.39 +/- 1.64   0.001% *  0.7607% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.28 +/- 1.88   0.016% *  0.0203% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.83 +/- 1.39   0.000% *  0.7402% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.50 +/- 1.61   0.002% *  0.0935% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  19.78 +/- 2.96   0.003% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.87 +/- 2.04   0.002% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.64 +/- 2.51   0.001% *  0.1259% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  18.13 +/- 1.54   0.004% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  19.69 +/- 1.84   0.003% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  23.98 +/- 1.74   0.001% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  21.26 +/- 2.42   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.94 +/- 2.23   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  24.59 +/- 2.97   0.001% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  21.14 +/- 1.97   0.001% *  0.0293% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.11 +/- 0.84   0.002% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.95 +/- 1.01   0.000% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  26.32 +/- 3.41   0.000% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  25.18 +/- 2.35   0.001% *  0.0417% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.99 +/- 1.56   0.001% *  0.0163% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.49 +/- 1.73   0.002% *  0.0113% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.36 +/- 1.62   0.001% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.46 +/- 1.46   0.000% *  0.0697% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  28.60 +/- 2.15   0.000% *  0.0602% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.59 +/- 1.87   0.000% *  0.0807% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.54 +/- 1.49   0.000% *  0.0761% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  28.46 +/- 2.50   0.000% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.88 +/- 1.79   0.000% *  0.0383% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.89 +/- 1.57   0.000% *  0.0232% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.84 +/- 1.83   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.59 +/- 1.66   0.000% *  0.0361% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.66, residual support = 21.8:
          HN    ASP- 105 - HG3   LYS+ 106   4.11 +/- 0.33  98.229% * 91.1000% (0.34   2.67  21.80) =  99.974%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.31 +/- 1.27   1.681% *  1.3256% (0.65   0.02   0.02) =   0.025%
          HN    ASP- 105 - HG3   LYS+  33  18.38 +/- 1.06   0.015% *  1.4066% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  19.06 +/- 1.14   0.011% *  1.6289% (0.80   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  15.82 +/- 1.32   0.038% *  0.3139% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  20.42 +/- 2.39   0.009% *  0.4834% (0.24   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.93 +/- 1.04   0.012% *  0.1317% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  27.24 +/- 2.89   0.002% *  0.9372% (0.46   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  27.94 +/- 2.43   0.001% *  0.9946% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  29.05 +/- 1.22   0.001% *  1.1517% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.97 +/- 1.39   0.001% *  0.2554% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  29.49 +/- 1.38   0.001% *  0.2710% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.03, residual support = 114.0:
      O   HN    LYS+  66 - HA    LYS+  66   2.86 +/- 0.08  99.904% * 99.6126% (0.53  10.0   5.03 113.99) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.54 +/- 0.67   0.043% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.59 +/- 1.08   0.053% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  29.80 +/- 1.23   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.0, residual support = 114.0:
      O   HN    LYS+  66 - QB    LYS+  66   2.32 +/- 0.30  99.830% * 99.6126% (0.53  10.0   5.00 113.99) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.41 +/- 0.67   0.051% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.77 +/- 1.38   0.119% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  25.86 +/- 1.23   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.523, support = 4.52, residual support = 113.3:
          HN    LYS+  66 - QG    LYS+  66   3.49 +/- 0.45  86.432% * 93.8727% (0.53   4.53 113.99) =  99.368%  kept
          HN    LYS+  66 - HG    LEU   67   5.68 +/- 0.98  11.663% *  4.3923% (0.04   2.76  11.49) =   0.627%  kept
          QD    PHE   60 - QG    LYS+  66   9.34 +/- 0.72   0.252% *  0.7597% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   8.34 +/- 1.72   1.276% *  0.1065% (0.14   0.02   0.02) =   0.002%
          QD    PHE   60 - HG    LEU   67  10.06 +/- 1.41   0.239% *  0.0585% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.54 +/- 1.49   0.137% *  0.0082% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  26.80 +/- 1.54   0.000% *  0.7447% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  27.62 +/- 2.23   0.000% *  0.0573% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.7, residual support = 114.0:
          HN    LYS+  66 - QD    LYS+  66   4.00 +/- 0.66  93.358% * 98.1236% (0.53   4.70 113.99) =  99.993%  kept
          QD    PHE   60 - QD    LYS+  66  10.01 +/- 0.90   0.465% *  0.7653% (0.97   0.02   0.02) =   0.004%
          QE    PHE   59 - QD    LYS+  66   9.13 +/- 1.78   1.535% *  0.1073% (0.14   0.02   0.02) =   0.002%
          QE    PHE   59 - HD2   LYS+ 121   7.82 +/- 1.49   3.637% *  0.0133% (0.02   0.02   0.02) =   0.001%
          HN    LYS+  66 - HD2   LYS+ 121  12.68 +/- 2.78   0.863% *  0.0519% (0.07   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  12.84 +/- 1.58   0.140% *  0.0952% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  27.34 +/- 1.51   0.001% *  0.7501% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  29.78 +/- 2.32   0.001% *  0.0933% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.475, support = 3.22, residual support = 58.2:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  90.854% * 46.3097% (0.47  10.0 10.00   3.01  58.23) =  90.047%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.23   8.945% * 51.9824% (0.53  10.0  1.00   5.11  58.23) =   9.952%  kept
        T HG    LEU   40 - HB2   LEU   67   8.17 +/- 1.69   0.018% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.11 +/- 0.91   0.170% *  0.0598% (0.61   1.0  1.00   0.02  11.49) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.97 +/- 1.28   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.65 +/- 0.64   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.15 +/- 0.93   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.76 +/- 0.95   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.35 +/- 1.66   0.002% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.51 +/- 1.34   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  18.48 +/- 2.33   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  16.61 +/- 1.58   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  23.70 +/- 3.19   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.31, residual support = 58.2:
      O T QD1   LEU   67 - HB2   LEU   67   2.32 +/- 0.26  96.420% * 98.6993% (0.70  10.0 10.00   3.31  58.23) =  99.998%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.58 +/- 1.17   0.109% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.17 +/- 1.22   3.462% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LEU   67  13.60 +/- 1.66   0.003% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.73 +/- 1.08   0.002% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.72 +/- 1.13   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.58 +/- 1.32   0.002% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 58.2:
          HA    LEU   67 - QD2   LEU   67   2.59 +/- 0.56  99.997% * 98.8214% (0.53   2.76  58.23) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.19 +/- 1.57   0.003% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.14, residual support = 58.2:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.01  98.937% * 96.8242% (0.73  10.0  1.00   3.14  58.23) =  99.995%  kept
        T HG    LEU   40 - QD1   LEU   67   6.65 +/- 2.02   0.451% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - QD1   LEU   67   6.23 +/- 1.58   0.524% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - QD1   LEU   67  12.11 +/- 2.03   0.005% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.70 +/- 1.82   0.013% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   9.31 +/- 2.42   0.039% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.37 +/- 1.37   0.021% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  11.46 +/- 2.02   0.006% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.49 +/- 1.61   0.003% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  14.90 +/- 2.29   0.001% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 58.2:
      O T HB2   LEU   67 - QD1   LEU   67   2.32 +/- 0.26  97.116% * 98.3333% (0.31  10.0 10.00   3.31  58.23) =  99.996%  kept
          HG2   PRO   68 - QD1   LEU   67   6.78 +/- 0.85   0.617% *  0.2941% (0.92   1.0  1.00   0.02  16.22) =   0.002%
          QB    GLU-  15 - QD1   LEU   67   7.24 +/- 2.31   1.951% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QD1   LEU   67   9.16 +/- 2.25   0.118% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   8.88 +/- 2.61   0.177% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.07 +/- 2.19   0.007% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.33 +/- 2.02   0.008% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.36 +/- 1.11   0.004% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  15.77 +/- 2.83   0.002% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.38 +/- 1.55   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.27, residual support = 58.2:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.01  90.697% * 99.2738% (0.87  10.0  1.00   2.27  58.23) =  99.975%  kept
        T QD1   LEU   40 - HG    LEU   67   5.74 +/- 1.87   3.187% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.025%
          QD2   LEU   67 - QG    LYS+  66   5.48 +/- 1.52   3.645% *  0.0076% (0.07   1.0  1.00   0.02  11.49) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   5.27 +/- 2.01   2.338% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.47 +/- 2.36   0.083% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.50 +/- 1.73   0.050% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.349, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   7.79 +/- 1.86  93.529% * 12.0360% (0.22   0.02   0.02) =  79.793%  kept
          QG2   ILE   89 - QD1   LEU   67  15.07 +/- 1.12   3.261% * 52.9912% (0.98   0.02   0.02) =  12.249%  kept
          QG1   VAL   83 - QD1   LEU   67  15.76 +/- 1.87   3.210% * 34.9728% (0.65   0.02   0.02) =   7.958%  kept
    Distance limit 3.08 A violated in 20 structures by 4.59 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 = 35.6:
        T HZ    PHE   72 - QD1   LEU   67   3.26 +/- 0.77  64.698% * 75.7718% (0.97 10.00   3.99  35.63) =  85.163%  kept
        T QD    PHE   72 - QD1   LEU   67   4.10 +/- 1.11  35.280% * 24.2087% (0.41 10.00   1.50  35.63) =  14.837%  kept
          QE    PHE   45 - QD1   LEU   67  12.43 +/- 1.28   0.023% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.19, residual support = 35.6:
          QE    PHE   72 - QD1   LEU   67   3.01 +/- 0.43  99.354% * 99.2874% (0.80   4.19  35.63) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.11 +/- 1.50   0.639% *  0.1825% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  15.73 +/- 1.31   0.007% *  0.5302% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.558, support = 0.0199, residual support = 0.0199:
          HA    ALA  124 - HG    LEU   67  13.15 +/- 3.13  16.942% *  6.6623% (0.84  1.00   0.02   0.02) =  34.010%  kept
        T HA    LEU  115 - HG    LEU   67  14.53 +/- 2.11   6.153% * 15.7849% (0.20 10.00   0.02   0.02) =  29.264%  kept
        T HA    ARG+  54 - HG    LEU   67  19.32 +/- 1.15   1.316% * 57.9196% (0.73 10.00   0.02   0.02) =  22.971%  kept
          HA    ALA  124 - QG    LYS+  66  10.55 +/- 2.00  40.794% *  0.5129% (0.06  1.00   0.02   0.02) =   6.304%  kept
          HA    GLU-  36 - HG    LEU   67  18.57 +/- 1.70   1.971% *  7.5452% (0.95  1.00   0.02   0.02) =   4.480%  kept
          HA    LEU  115 - QG    LYS+  66  11.76 +/- 2.34  23.900% *  0.1215% (0.02  1.00   0.02   0.02) =   0.875%  kept
          HA    ARG+  54 - QG    LYS+  66  15.25 +/- 1.10   6.063% *  0.4459% (0.06  1.00   0.02   0.02) =   0.815%  kept
          HA    ASN   28 - HG    LEU   67  18.95 +/- 1.52   1.512% *  1.7758% (0.22  1.00   0.02   0.02) =   0.809%  kept
          HA    LYS+  81 - HG    LEU   67  27.87 +/- 1.82   0.138% *  7.9057% (0.99  1.00   0.02   0.02) =   0.329%
          HA    GLU-  36 - QG    LYS+  66  22.02 +/- 1.12   0.516% *  0.5808% (0.07  1.00   0.02   0.02) =   0.090%
          HA    LYS+  81 - QG    LYS+  66  26.73 +/- 1.42   0.165% *  0.6086% (0.08  1.00   0.02   0.02) =   0.030%
          HA    ASN   28 - QG    LYS+  66  21.57 +/- 1.17   0.530% *  0.1367% (0.02  1.00   0.02   0.02) =   0.022%
    Distance limit 3.87 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.74, residual support = 58.2:
      O   HA    LEU   67 - HG    LEU   67   3.33 +/- 0.58  89.659% * 99.3233% (0.15  10.0   3.74  58.23) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.42 +/- 0.79  10.333% *  0.0076% (0.01   1.0   0.02  11.49) =   0.001%
          HA    ASP-  76 - HG    LEU   67  19.58 +/- 1.41   0.004% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.11 +/- 0.86   0.004% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.314, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  10.51 +/- 1.90  19.051% * 11.5851% (0.38   0.02   0.02) =  52.288%  kept
          QD    PHE   60 - HG    LEU   67  10.06 +/- 1.41  23.520% *  5.4059% (0.18   0.02   0.02) =  30.122%  kept
          QE    PHE   95 - QG    LYS+  66   9.77 +/- 1.59  24.913% *  0.8918% (0.03   0.02   0.02) =   5.264%  kept
          HE3   TRP   27 - HG    LEU   67  17.86 +/- 1.28   0.628% * 26.7757% (0.87   0.02   0.02) =   3.985%  kept
          QD    PHE   55 - HG    LEU   67  18.41 +/- 1.26   0.522% * 24.7171% (0.80   0.02   0.02) =   3.055%  kept
          QD    PHE   60 - QG    LYS+  66   9.34 +/- 0.72  27.663% *  0.4162% (0.01   0.02   0.02) =   2.727%  kept
          QD    PHE   55 - QG    LYS+  66  13.94 +/- 1.40   2.620% *  1.9027% (0.06   0.02   0.02) =   1.181%  kept
          HN    THR   23 - HG    LEU   67  19.51 +/- 1.63   0.399% * 10.5293% (0.34   0.02   0.02) =   0.996%  kept
          HE3   TRP   27 - QG    LYS+  66  19.62 +/- 0.97   0.337% *  2.0612% (0.07   0.02   0.02) =   0.165%
          HN    LYS+  81 - HG    LEU   67  27.62 +/- 2.23   0.048% * 13.8391% (0.45   0.02   0.02) =   0.158%
          HN    THR   23 - QG    LYS+  66  20.86 +/- 0.88   0.243% *  0.8106% (0.03   0.02   0.02) =   0.047%
          HN    LYS+  81 - QG    LYS+  66  26.80 +/- 1.54   0.054% *  1.0653% (0.03   0.02   0.02) =   0.014%
    Distance limit 3.67 A violated in 20 structures by 3.76 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 3.01, residual support = 58.2:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.899% * 95.9469% (0.29  10.0 10.00   3.01  58.23) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.17 +/- 0.67   0.072% *  0.2870% (0.87   1.0  1.00   0.02  16.22) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.67 +/- 1.34   0.003% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   7.77 +/- 1.30   0.022% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.42 +/- 1.24   0.003% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  15.78 +/- 1.11   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.60 +/- 1.66   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.58 +/- 1.00   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  19.94 +/- 2.08   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.33 +/- 0.81   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  19.01 +/- 1.03 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 15.44 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.22, residual support = 58.2:
      O   HN    LEU   67 - HB3   LEU   67   3.42 +/- 0.52  99.445% * 99.4441% (0.54  10.0   4.22  58.23) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  10.11 +/- 2.23   0.539% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.39 +/- 1.69   0.007% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  19.43 +/- 1.13   0.004% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  18.83 +/- 0.92   0.005% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  25.62 +/- 2.07   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 58.2:
      O   HA    LEU   67 - HB2   LEU   67   2.80 +/- 0.21  99.999% * 99.8354% (0.38  10.0   5.04  58.23) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.40 +/- 1.11   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.14, residual support = 35.6:
          QE    PHE   72 - HB2   LEU   67   2.63 +/- 0.63  99.894% * 99.0505% (0.58   3.14  35.63) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67   9.86 +/- 1.29   0.104% *  0.2431% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  18.76 +/- 1.23   0.001% *  0.7064% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.87, residual support = 58.2:
      O   HN    LEU   67 - HB2   LEU   67   2.71 +/- 0.34  99.736% * 99.6033% (0.70  10.0   4.87  58.23) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67   9.54 +/- 2.01   0.257% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  19.35 +/- 1.09   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  18.60 +/- 0.93   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.04 +/- 1.61   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.58 +/- 0.66   0.002% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  16.99 +/- 0.92   0.002% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.79 +/- 2.05   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.6:
        T HZ    PHE   72 - HB2   LEU   67   2.91 +/- 0.57  99.994% * 99.9822% (0.63 10.00   2.96  35.63) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  15.93 +/- 1.00   0.006% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.85, residual support = 65.0:
      O T HA    VAL   24 - HB    VAL   24   2.64 +/- 0.13  90.962% * 82.3820% (0.57  10.0 10.00   3.82  65.60) =  98.063%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.10   9.034% * 16.3856% (0.11  10.0  1.00   5.38  34.95) =   1.937%  kept
          HA    LYS+  38 - HB2   PRO   68  15.02 +/- 1.59   0.004% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.58 +/- 1.01   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.49 +/- 0.95   0.001% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.34 +/- 1.46   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.2, residual support = 65.6:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.983% * 98.0584% (0.63  10.0 10.00   3.20  65.60) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.25 +/- 0.52   0.005% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.32 +/- 0.26   0.008% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  20.52 +/- 1.37   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.92 +/- 2.24   0.002% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.67 +/- 1.77   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.39 +/- 1.30   0.001% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.67 +/- 1.35   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.46 +/- 1.19   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  24.68 +/- 2.89   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.64 +/- 1.83   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  26.71 +/- 1.59   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.344, support = 5.79, residual support = 32.4:
      O   HN    ASN   69 - HB2   PRO   68   3.30 +/- 0.82  61.465% * 67.5272% (0.34  10.0   5.85  32.53) =  86.285%  kept
          HN    GLU-  25 - HB    VAL   24   3.69 +/- 0.23  33.115% * 17.6599% (0.31   1.0   5.89  33.47) =  12.157%  kept
          HN    ASN   28 - HB    VAL   24   5.38 +/- 0.45   5.211% * 14.3806% (0.66   1.0   2.23  13.57) =   1.558%  kept
          HN    ASP-  44 - HB    VAL   24   9.79 +/- 1.21   0.204% *  0.0651% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.19 +/- 0.85   0.004% *  0.0800% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.09 +/- 0.90   0.001% *  0.1585% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  22.76 +/- 0.90   0.001% *  0.0550% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.34 +/- 0.99   0.000% *  0.0736% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.63, residual support = 65.6:
      O   HN    VAL   24 - HB    VAL   24   2.19 +/- 0.32 100.000% * 99.8774% (0.33  10.0   4.63  65.60) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.62 +/- 1.12   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.06, residual support = 34.9:
      O   HD3   PRO   68 - HG2   PRO   68   2.66 +/- 0.30  99.996% * 99.5120% (0.57  10.0   3.06  34.95) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.94 +/- 1.87   0.003% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.77 +/- 1.68   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.06 +/- 1.71   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  23.88 +/- 2.38   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  24.98 +/- 1.88   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.82, residual support = 34.9:
      O   HD2   PRO   68 - HG2   PRO   68   2.53 +/- 0.28  99.986% * 99.8205% (0.63  10.0   2.82  34.95) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.69 +/- 1.18   0.009% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.34 +/- 2.24   0.003% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.39 +/- 1.61   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  22.72 +/- 1.17   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.739, support = 4.76, residual support = 55.8:
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.30  59.852% * 74.8686% (0.84  10.0  1.00   4.79  34.95) =  83.026%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.75 +/- 0.18  38.387% * 23.8652% (0.27  10.0 10.00   4.58 157.64) =  16.974%  kept
          QB    PHE   55 - HG2   ARG+  54   5.97 +/- 0.96   1.217% *  0.0183% (0.20   1.0  1.00   0.02   3.55) =   0.000%
          HB3   CYS   53 - HG2   ARG+  54   6.12 +/- 0.77   0.462% *  0.0234% (0.26   1.0  1.00   0.02  32.12) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.72 +/- 1.52   0.066% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.52 +/- 0.68   0.014% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.01 +/- 1.69   0.000% *  0.8943% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.91 +/- 1.66   0.001% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.78 +/- 1.52   0.000% *  0.0685% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.15 +/- 1.75   0.000% *  0.0879% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  23.98 +/- 2.22   0.000% *  0.0778% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.24 +/- 1.27   0.000% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.53, residual support = 34.9:
      O   HD2   PRO   68 - HG3   PRO   68   2.64 +/- 0.28  99.523% * 99.5569% (0.92  10.0  1.00   4.53  34.95) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.39 +/- 0.85   0.445% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.75 +/- 1.10   0.012% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.56 +/- 1.61   0.003% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  12.27 +/- 1.22   0.015% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  22.97 +/- 1.25   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.38 +/- 1.37   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  22.83 +/- 1.42   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.34 +/- 1.26   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.08 +/- 1.49   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 34.9:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.798% * 98.5022% (0.98  10.0 10.00   4.84  34.95) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.04 +/- 0.78   0.993% *  0.0070% (0.07   1.0  1.00   0.02  40.47) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.08 +/- 0.27   0.177% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58   9.75 +/- 1.39   0.005% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   7.95 +/- 0.90   0.015% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.13 +/- 0.67   0.012% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.49 +/- 1.54   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  22.43 +/- 1.88   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.49 +/- 1.36   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.62 +/- 1.34   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.59 +/- 1.78   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  23.85 +/- 1.59   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 34.9:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.991% * 99.4504% (0.92  10.0 10.00   4.84  34.95) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.88 +/- 0.81   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93   9.75 +/- 1.39   0.005% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.30 +/- 2.10   0.002% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.49 +/- 1.36   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  22.43 +/- 1.88   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.57 +/- 1.25   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  21.84 +/- 0.88   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  17.98 +/- 0.81   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.27 +/- 1.04   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.08, residual support = 16.2:
      O   HA    LEU   67 - HD3   PRO   68   2.17 +/- 0.18  99.993% * 99.7870% (0.53  10.0   5.08  16.22) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.24 +/- 0.98   0.007% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  21.77 +/- 0.99   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.02 +/- 1.57   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 = 4.21, residual support = 16.2:
      O   HA    LEU   67 - HD2   PRO   68   2.28 +/- 0.12  99.997% * 99.8155% (0.53  10.0   4.21  16.22) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  21.74 +/- 1.26   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.99 +/- 1.05   0.001% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.67 +/- 1.00   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 59.7:
      O   HD21  ASN   69 - HB2   ASN   69   3.09 +/- 0.49  99.840% * 99.5864% (0.65  10.0   3.63  59.68) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69   9.90 +/- 1.00   0.155% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.32 +/- 0.88   0.005% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  31.16 +/- 1.73   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  31.35 +/- 2.52   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  29.44 +/- 1.45   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.41, residual support = 59.7:
      O   HN    ASN   69 - HB2   ASN   69   3.57 +/- 0.32  99.961% * 99.9414% (0.97  10.0   5.41  59.68) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.22 +/- 1.75   0.035% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.95 +/- 0.91   0.004% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 59.7:
      O   HD21  ASN   69 - HB3   ASN   69   2.90 +/- 0.60  99.831% * 99.7810% (0.99  10.0   3.60  59.68) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69   9.77 +/- 0.99   0.169% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  31.60 +/- 1.88   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  31.85 +/- 2.60   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 59.7:
      O   HN    ASN   69 - HB3   ASN   69   3.13 +/- 0.43  99.977% * 99.9414% (0.97  10.0   4.90  59.68) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  15.13 +/- 1.73   0.022% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.70 +/- 0.78   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 59.7:
          HD21  ASN   69 - HA    ASN   69   3.58 +/- 0.52  97.978% * 89.7867% (0.20   3.07  59.68) =  99.977%  kept
          HN    GLN   17 - HA    ASN   69   7.80 +/- 1.32   1.999% *  1.0077% (0.34   0.02   0.02) =   0.023%
          HN    ALA   61 - HA    ASN   69  15.87 +/- 0.56   0.016% *  2.3656% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.01 +/- 0.77   0.006% *  1.1088% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  28.47 +/- 1.12   0.000% *  2.1453% (0.73   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  30.91 +/- 1.92   0.000% *  2.9282% (0.99   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  30.43 +/- 1.12   0.000% *  0.6577% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 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  20.12 +/- 0.87 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.51 A violated in 20 structures by 16.60 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.28, support = 0.0199, residual support = 0.0199:
        T QB    ALA   88 - HA    SER   48  11.62 +/- 3.02  10.534% * 17.4364% (0.20 10.00   0.02   0.02) =  41.220%  kept
          QG2   THR   77 - HA    SER   48   6.51 +/- 1.03  42.031% *  1.9923% (0.23  1.00   0.02   0.02) =  18.793%  kept
        T QB    ALA   88 - HB2   SER   82  10.53 +/- 0.41   2.127% * 37.0886% (0.42 10.00   0.02   0.02) =  17.705%  kept
          QG2   THR   77 - HB2   SER   82   9.36 +/- 1.00   6.324% *  4.2379% (0.48  1.00   0.02   0.02) =   6.015%  kept
          HG2   LYS+  99 - HA    VAL   70   8.58 +/- 0.93   7.182% *  3.6274% (0.41  1.00   0.02   0.02) =   5.846%  kept
          QG2   THR   23 - HB2   SER   82   8.02 +/- 2.31  25.948% *  0.9519% (0.11  1.00   0.02   0.02) =   5.543%  kept
          HG2   LYS+  38 - HA    VAL   70  10.48 +/- 1.55   4.204% *  4.6421% (0.53  1.00   0.02   0.02) =   4.380%  kept
          QG2   THR   77 - HA    VAL   70  17.74 +/- 0.48   0.093% *  8.7452% (0.99  1.00   0.02   0.02) =   0.182%
          HB2   LEU   31 - HA    VAL   70  13.74 +/- 0.81   0.428% *  1.3614% (0.15  1.00   0.02   0.02) =   0.131%
          QG2   THR   23 - HA    SER   48  13.19 +/- 1.55   0.720% *  0.4475% (0.05  1.00   0.02   0.02) =   0.072%
          QG2   THR   23 - HA    VAL   70  17.30 +/- 0.64   0.105% *  1.9644% (0.22  1.00   0.02   0.02) =   0.046%
          HB2   LEU   31 - HB2   SER   82  18.42 +/- 4.07   0.161% *  0.6597% (0.07  1.00   0.02   0.02) =   0.024%
          QB    ALA   88 - HA    VAL   70  25.13 +/- 0.75   0.011% *  7.6536% (0.87  1.00   0.02   0.02) =   0.019%
          HG2   LYS+ 111 - HA    VAL   70  23.69 +/- 2.01   0.017% *  1.7461% (0.20  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HA    SER   48  19.09 +/- 1.87   0.062% *  0.3978% (0.05  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HB2   SER   82  29.60 +/- 3.93   0.007% *  2.2495% (0.25  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HB2   SER   82  28.34 +/- 3.35   0.008% *  1.7578% (0.20  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HB2   SER   82  25.88 +/- 2.68   0.015% *  0.8462% (0.10  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    SER   48  24.20 +/- 1.05   0.014% *  0.3102% (0.04  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    SER   48  29.15 +/- 0.92   0.004% *  0.8264% (0.09  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    SER   48  31.90 +/- 1.86   0.003% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 17 structures by 1.83 A, eliminated.
    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   2.28 +/- 0.03  99.989% * 99.7573% (0.87  10.0   5.31  32.83) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  12.14 +/- 2.95   0.009% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.20 +/- 0.47   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.75 +/- 1.38   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.04 +/- 1.30   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  24.81 +/- 2.43   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.43 +/- 1.31   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.37 +/- 1.19   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.49 +/- 0.99   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  28.60 +/- 2.59   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.26 +/- 0.94   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  29.08 +/- 2.23   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 3.3, residual support = 38.2:
        T HZ    PHE   72 - HB    VAL   70   3.67 +/- 0.93  55.751% * 95.0245% (1.00 10.00   3.30  38.18) =  96.406%  kept
          QD    PHE   72 - HB    VAL   70   3.87 +/- 0.60  41.361% *  4.7738% (0.31  1.00   3.25  38.18) =   3.593%  kept
        T HZ    PHE   72 - QG    GLN   17   9.41 +/- 1.43   0.339% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.71 +/- 1.07   2.519% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  14.55 +/- 0.68   0.015% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  15.17 +/- 0.74   0.015% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.74, residual support = 38.2:
          QE    PHE   72 - HB    VAL   70   2.33 +/- 0.51  99.754% * 98.7608% (0.73   3.74  38.18) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   7.61 +/- 1.39   0.207% *  0.0982% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  10.46 +/- 1.46   0.030% *  0.2733% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.01 +/- 0.72   0.007% *  0.0508% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.04 +/- 1.01   0.000% *  0.6889% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.79 +/- 1.37   0.001% *  0.1280% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 81.6:
      O   HN    VAL   70 - HB    VAL   70   2.68 +/- 0.41  99.850% * 99.9336% (0.76  10.0   4.31  81.61) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   8.83 +/- 1.14   0.148% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.52 +/- 0.79   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.45 +/- 0.72   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.84, residual support = 81.6:
          HN    VAL   70 - QG1   VAL   70   2.43 +/- 0.32  99.996% * 98.2826% (0.28   4.84  81.61) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.13 +/- 1.29   0.004% *  0.5481% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.80 +/- 0.97   0.000% *  1.1693% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 1.13:
          HN    VAL   42 - QG2   VAL   70   3.83 +/- 0.27  91.190% * 57.3376% (0.52   1.27   1.19) =  95.094%  kept
          HN    LEU   73 - QG2   VAL   70   6.01 +/- 0.32   6.453% * 41.3136% (0.52   0.91   0.02) =   4.849%  kept
          HN    ILE   19 - QG2   VAL   70   7.24 +/- 0.48   2.357% *  1.3488% (0.77   0.02   0.02) =   0.058%
    Distance limit 3.74 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.601, support = 5.09, residual support = 35.8:
        T HG    LEU   40 - QG2   VAL   70   3.01 +/- 0.89  34.582% * 69.5263% (0.80 10.00   5.88  35.81) =  57.964%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.30 +/- 0.70  60.861% * 28.6467% (0.33 10.00   3.99  35.81) =  42.031%  kept
          HG    LEU   67 - QG2   VAL   70   4.83 +/- 1.04   1.788% *  0.0691% (0.79  1.00   0.02   0.43) =   0.003%
          HB3   LEU   67 - QG2   VAL   70   3.95 +/- 1.00   2.663% *  0.0194% (0.22  1.00   0.02   0.43) =   0.001%
        T HG    LEU   73 - QG2   VAL   70   6.67 +/- 0.68   0.067% *  0.4508% (0.52 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - QG2   VAL   70  12.55 +/- 0.93   0.002% *  0.6953% (0.80 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.44 +/- 1.20   0.020% *  0.0312% (0.36  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.61 +/- 1.46   0.001% *  0.4508% (0.52 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.60 +/- 1.56   0.005% *  0.0451% (0.52  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.62 +/- 1.42   0.003% *  0.0533% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.58 +/- 0.66   0.007% *  0.0122% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.614, support = 2.42, residual support = 38.2:
        T QD    PHE   72 - QG2   VAL   70   2.71 +/- 0.51  75.340% * 53.1587% (0.64 10.00   1.84  38.18) =  77.647%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.56 +/- 0.49  24.637% * 46.7974% (0.52 10.00   4.44  38.18) =  22.353%  kept
          QE    PHE   45 - QG2   VAL   70  10.76 +/- 0.58   0.023% *  0.0439% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.91, residual support = 38.2:
          QE    PHE   72 - QG2   VAL   70   2.21 +/- 0.43  99.995% * 99.6480% (0.80   4.91  38.18) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.37 +/- 0.47   0.004% *  0.1384% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  16.09 +/- 0.58   0.001% *  0.2135% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.45, residual support = 32.8:
          HN    LEU   71 - QG2   VAL   70   2.29 +/- 0.34  99.979% * 99.3862% (0.76   6.45  32.83) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.86 +/- 1.31   0.007% *  0.0905% (0.22   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  10.86 +/- 1.04   0.011% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.99 +/- 1.31   0.002% *  0.1713% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  16.12 +/- 1.34   0.001% *  0.3079% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.661, support = 2.55, residual support = 38.2:
        T HZ    PHE   72 - QG1   VAL   70   3.94 +/- 0.69  61.103% * 86.0554% (0.65 10.00   2.54  38.18) =  90.713%  kept
          QD    PHE   72 - QG1   VAL   70   4.46 +/- 1.04  38.829% * 13.8639% (0.80  1.00   2.60  38.18) =   9.287%  kept
          QE    PHE   45 - QG1   VAL   70  12.68 +/- 0.80   0.069% *  0.0807% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 3.03:
          HA    VAL   41 - HB2   LEU   71   3.94 +/- 1.10  98.633% * 95.8609% (0.92   0.75   3.03) =  99.964%  kept
          HA    HIS  122 - HB2   LEU   71  13.35 +/- 2.01   1.204% *  2.6725% (0.97   0.02   0.02) =   0.034%
          HA    PHE   45 - HB2   LEU   71  14.71 +/- 0.65   0.145% *  1.0393% (0.38   0.02   0.02) =   0.002%
          HA    MET   92 - HB2   LEU   71  21.43 +/- 1.32   0.018% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 4 structures by 0.60 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 138.2:
      O   HN    LEU   71 - HB2   LEU   71   2.69 +/- 0.43  99.979% * 99.8011% (0.95  10.0   6.35 138.25) = 100.000%  kept
          HN    THR  118 - HB2   LEU   71  17.89 +/- 2.23   0.006% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  15.34 +/- 1.84   0.012% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  20.27 +/- 2.32   0.002% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.48 +/- 2.38   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.27, residual support = 138.2:
      O   HN    LEU   71 - HB3   LEU   71   3.03 +/- 0.62  99.923% * 99.8011% (0.95  10.0   6.27 138.25) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.44 +/- 2.09   0.050% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  18.30 +/- 2.51   0.017% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.59 +/- 2.55   0.007% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  22.87 +/- 2.67   0.003% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 138.2:
      O   HB2   LEU   71 - HG    LEU   71   2.47 +/- 0.10  98.320% * 99.3720% (0.97  10.0   4.93 138.25) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.68 +/- 1.68   0.373% *  0.0501% (0.49   1.0   0.02   3.03) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   6.93 +/- 1.60   0.565% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.45 +/- 1.03   0.552% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  10.02 +/- 1.58   0.037% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.58 +/- 1.72   0.115% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.52 +/- 1.58   0.011% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.99 +/- 1.22   0.006% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  14.20 +/- 1.54   0.003% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.62 +/- 1.47   0.007% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.69 +/- 1.40   0.003% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.74 +/- 1.19   0.004% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.46 +/- 2.21   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  17.59 +/- 3.10   0.002% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.23 +/- 1.43   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.03 +/- 2.17   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.01 +/- 1.56   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.99 +/- 1.63   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  20.15 +/- 2.30   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  24.06 +/- 1.86   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 138.2:
          HN    LEU   71 - QD2   LEU   71   3.66 +/- 0.55  99.857% * 99.7039% (0.87   6.76 138.25) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  12.11 +/- 1.19   0.124% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.14 +/- 2.25   0.006% *  0.1654% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.05 +/- 2.25   0.014% *  0.0460% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.38, residual support = 19.8:
          HN    PHE   72 - QD2   LEU   71   3.21 +/- 0.47  99.678% * 99.5739% (0.73   5.38  19.81) =  99.999%  kept
          HN    LEU  104 - QD2   LEU   71  12.56 +/- 1.88   0.322% *  0.4261% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.02, residual support = 38.2:
      O   HN    LEU   73 - HA    PHE   72   2.29 +/- 0.05  69.104% * 92.2371% (0.61  10.0   5.15  39.35) =  96.536%  kept
          HN    VAL   42 - HA    PHE   72   2.90 +/- 0.78  29.893% *  7.6505% (0.61   1.0   1.66   4.95) =   3.464%  kept
          HN    ILE   19 - HA    PHE   72   4.75 +/- 0.39   1.001% *  0.0202% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.84 +/- 0.96   0.002% *  0.0922% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.12, residual support = 90.1:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.975% * 99.9786% (0.71  10.0   5.12  90.12) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.80 +/- 0.70   0.025% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.374, support = 2.61, residual support = 39.2:
          HG    LEU   73 - HA    PHE   72   4.06 +/- 0.93  80.729% * 70.3109% (0.37   2.64  39.35) =  98.629%  kept
          HB3   LEU   67 - HA    PHE   72   7.33 +/- 0.85   2.825% * 22.4188% (0.66   0.47  35.63) =   1.100%  kept
          HG12  ILE   19 - HA    PHE   72   7.31 +/- 1.47  13.255% *  1.0559% (0.74   0.02   0.02) =   0.243%
          QB    ALA   61 - HA    PHE   72   9.77 +/- 0.85   0.528% *  1.0559% (0.74   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HA    PHE   72   8.17 +/- 0.56   1.169% *  0.4498% (0.31   0.02   0.02) =   0.009%
          QB    LEU   98 - HA    PHE   72   8.13 +/- 1.05   1.147% *  0.2165% (0.15   0.02   0.02) =   0.004%
          QG    LYS+  66 - HA    PHE   72  11.52 +/- 1.12   0.212% *  0.7515% (0.52   0.02   0.36) =   0.003%
          QB    ALA  110 - HA    PHE   72  15.54 +/- 1.49   0.026% *  1.0844% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  14.40 +/- 2.26   0.055% *  0.4905% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    PHE   72  17.32 +/- 3.53   0.020% *  1.0917% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   72  16.75 +/- 2.58   0.020% *  0.6636% (0.46   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  16.33 +/- 1.58   0.016% *  0.4106% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 3 structures by 0.58 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.59, residual support = 39.3:
          QD2   LEU   73 - HB2   PHE   72   4.16 +/- 0.13  91.993% * 98.9707% (0.82   5.59  39.35) =  99.990%  kept
          QG1   VAL   41 - HB2   PHE   72   7.85 +/- 1.00   3.269% *  0.1232% (0.28   0.02   0.02) =   0.004%
          QG1   VAL   43 - HB2   PHE   72   7.17 +/- 0.70   4.205% *  0.0715% (0.17   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB2   PHE   72  11.30 +/- 1.33   0.295% *  0.3486% (0.81   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  11.75 +/- 0.88   0.199% *  0.3240% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  15.77 +/- 1.62   0.039% *  0.1620% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.58, residual support = 39.4:
        T QB    ALA   64 - HB2   PHE   72   3.77 +/- 0.64  99.948% * 99.9825% (0.84 10.00   2.58  39.44) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  13.89 +/- 0.90   0.052% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 3 structures by 0.36 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.658, support = 5.25, residual support = 33.9:
          QD2   LEU   73 - HB3   PHE   72   4.61 +/- 0.39  20.974% * 93.7072% (0.72   6.16  39.35) =  83.284%  kept
          QG2   VAL   18 - HB3   PHE   72   3.39 +/- 0.76  76.824% *  5.1278% (0.33   0.75   6.99) =  16.693%  kept
          QG1   VAL   43 - HB3   PHE   72   7.65 +/- 0.81   1.169% *  0.2210% (0.53   0.02   0.02) =   0.011%
          QG1   VAL   41 - HB3   PHE   72   8.08 +/- 0.83   0.701% *  0.2917% (0.69   0.02   0.02) =   0.009%
          QD1   ILE   56 - HB3   PHE   72  11.57 +/- 1.56   0.114% *  0.2063% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.12 +/- 0.80   0.059% *  0.3447% (0.82   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   PHE   72  10.11 +/- 0.71   0.159% *  0.1013% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.75, residual support = 39.4:
        T QB    ALA   64 - HB3   PHE   72   3.36 +/- 0.51  99.943% * 99.9693% (0.63 10.00   2.75  39.44) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  12.89 +/- 1.42   0.057% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 6.98:
        T HA    VAL   18 - HB2   PHE   72   3.12 +/- 0.63  98.821% * 91.1882% (0.47 10.00   1.50   6.99) =  99.949%  kept
          HA    VAL   70 - HB2   PHE   72   7.79 +/- 0.67   0.575% *  7.9748% (0.82  1.00   0.76  38.18) =   0.051%
          HA1   GLY   16 - HB2   PHE   72   7.83 +/- 1.24   0.533% *  0.0597% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  13.22 +/- 0.63   0.026% *  0.1303% (0.51  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  15.89 +/- 1.44   0.014% *  0.2105% (0.82  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.88 +/- 0.69   0.013% *  0.1641% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.54 +/- 0.38   0.011% *  0.1303% (0.51  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.58 +/- 1.18   0.006% *  0.0376% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  21.25 +/- 1.67   0.002% *  0.1045% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 2.56, residual support = 6.98:
          HA    VAL   18 - HB3   PHE   72   2.66 +/- 0.74  98.876% * 73.4127% (0.15  1.00   2.56   6.99) =  99.964%  kept
          HA1   GLY   16 - HB3   PHE   72   7.19 +/- 1.03   0.610% *  2.3776% (0.63  1.00   0.02   0.02) =   0.020%
          HA    VAL   70 - HB3   PHE   72   7.46 +/- 0.64   0.470% *  1.9859% (0.53  1.00   0.02  38.18) =   0.013%
        T HA    LYS+  33 - HB3   PHE   72  14.88 +/- 0.83   0.008% * 10.1058% (0.27 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB3   PHE   72  13.07 +/- 0.93   0.019% *  3.2094% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  15.76 +/- 0.53   0.006% *  6.4796% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  16.09 +/- 1.39   0.010% *  1.9859% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  21.76 +/- 1.50   0.001% *  0.4431% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.67, residual support = 90.1:
      O T QD    PHE   72 - HB3   PHE   72   2.51 +/- 0.18  99.310% * 99.0530% (0.87  10.0 10.00   4.67  90.12) = 100.000%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.672% *  0.0306% (0.27   1.0  1.00   0.02  90.12) =   0.000%
        T QE    PHE   45 - HB3   PHE   72  10.89 +/- 0.86   0.018% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.52, residual support = 90.1:
      O T QD    PHE   72 - HB2   PHE   72   2.43 +/- 0.12  99.451% * 99.8767% (0.83  10.0 10.00   4.52  90.12) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.528% *  0.0309% (0.26   1.0  1.00   0.02  90.12) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.31 +/- 1.19   0.020% *  0.0924% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.01, residual support = 90.1:
      O   HN    PHE   72 - HB2   PHE   72   3.18 +/- 0.48  99.974% * 99.9402% (0.79  10.0   5.01  90.12) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  13.65 +/- 0.90   0.026% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.828, support = 0.0197, residual support = 4.54:
          HB2   GLN   30 - HA    LEU   73   6.79 +/- 0.67  51.803% * 10.7462% (0.80   0.02   5.13) =  52.142%  kept
          HG3   GLN   30 - HA    LEU   73   7.47 +/- 0.53  29.159% * 13.3017% (0.99   0.02   5.13) =  36.329%  kept
          HB2   GLN   17 - HA    LEU   73   8.72 +/- 0.52  12.073% *  6.5324% (0.49   0.02   0.02) =   7.387%  kept
          QB    GLU-  15 - HA    LEU   73  10.88 +/- 0.70   3.271% *  6.5324% (0.49   0.02   0.02) =   2.001%  kept
          HB3   PRO   68 - HA    LEU   73  15.05 +/- 1.40   0.551% * 11.6413% (0.87   0.02   0.02) =   0.600%  kept
          HB3   GLU-  25 - HA    LEU   73  12.84 +/- 0.58   1.216% *  4.1422% (0.31   0.02   0.02) =   0.472%
          HB2   PRO   93 - HA    LEU   73  14.11 +/- 1.70   1.000% *  2.9879% (0.22   0.02   0.02) =   0.280%
          HB    VAL  108 - HA    LEU   73  17.04 +/- 2.06   0.364% *  7.5980% (0.57   0.02   0.02) =   0.259%
          HB3   GLU- 100 - HA    LEU   73  16.99 +/- 1.32   0.227% * 11.6413% (0.87   0.02   0.02) =   0.247%
          HB    ILE  119 - HA    LEU   73  18.03 +/- 1.27   0.177% * 10.7462% (0.80   0.02   0.02) =   0.178%
          HB2   ARG+  54 - HA    LEU   73  19.77 +/- 1.02   0.094% *  6.5324% (0.49   0.02   0.02) =   0.058%
          HB2   LYS+ 111 - HA    LEU   73  21.17 +/- 1.69   0.065% *  7.5980% (0.57   0.02   0.02) =   0.047%
    Distance limit 3.67 A violated in 20 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.62, residual support = 40.7:
      O   HN    LYS+  74 - HA    LEU   73   2.32 +/- 0.09  99.983% * 99.6525% (0.69  10.0   5.62  40.74) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.13 +/- 0.66   0.016% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  15.96 +/- 1.42   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.71 +/- 1.14   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  23.08 +/- 1.87   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.788, support = 6.28, residual support = 167.3:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.02  51.325% * 97.6685% (0.80  10.0   6.37 170.69) =  97.997%  kept
          HN    ILE   19 - HA    LEU   73   2.99 +/- 0.52  47.933% *  2.1361% (0.18   1.0   2.00   4.00) =   2.002%  kept
          HN    VAL   42 - HA    LEU   73   6.08 +/- 0.63   0.740% *  0.0977% (0.80   1.0   0.02   1.21) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.62 +/- 0.97   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.374, support = 6.14, residual support = 170.1:
      O   HN    LEU   73 - HB2   LEU   73   3.45 +/- 0.43  93.370% * 95.0571% (0.38  10.0   6.16 170.69) =  99.651%  kept
          HN    VAL   42 - HB2   LEU   73   5.87 +/- 1.07   6.618% *  4.6902% (0.38   1.0   0.99   1.21) =   0.349%
          HN    LYS+ 106 - HB2   LEU   73  15.79 +/- 1.58   0.012% *  0.2527% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.797, support = 1.99, residual support = 8.01:
          HA    VAL   43 - HB2   LEU   73   4.25 +/- 1.20  96.618% * 87.9394% (0.80  1.00   2.00   8.05) =  99.584%  kept
        T HA    HIS   22 - HB2   LEU   73   8.90 +/- 0.97   3.212% * 10.9840% (1.00 10.00   0.02   0.02) =   0.414%
          HA    ASN   69 - HB2   LEU   73  14.20 +/- 0.51   0.169% *  1.0766% (0.98  1.00   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 7 structures by 0.74 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.42, residual support = 40.7:
          HN    LYS+  74 - HB3   LEU   73   3.46 +/- 0.50  99.955% * 97.4874% (0.25   5.42  40.74) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.20 +/- 0.63   0.041% *  0.5932% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.28 +/- 1.59   0.003% *  1.1026% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  24.89 +/- 2.23   0.001% *  0.8168% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.776, support = 5.42, residual support = 161.1:
          HN    LEU   73 - HG    LEU   73   3.01 +/- 0.73  58.197% * 70.0162% (0.80   5.65 170.69) =  91.483%  kept
          HN    VAL   42 - HG    LEU   73   4.12 +/- 1.02  12.735% * 18.2143% (0.80   1.47   1.21) =   5.208%  kept
          HN    ILE   19 - HG12  ILE   19   3.65 +/- 0.64  22.985% *  5.4734% (0.06   6.18 172.03) =   2.825%  kept
          HN    VAL   42 - HG    LEU   40   5.33 +/- 1.28   3.881% *  5.5294% (0.15   2.39   1.42) =   0.482%
          HN    ILE   19 - HG    LEU   73   5.54 +/- 0.74   1.566% *  0.0542% (0.18   0.02   4.00) =   0.002%
          HN    LEU   73 - HG12  ILE   19   7.54 +/- 1.27   0.322% *  0.0809% (0.26   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.19 +/- 1.73   0.145% *  0.0809% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   8.92 +/- 1.35   0.096% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.19 +/- 1.03   0.016% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  14.84 +/- 1.45   0.003% *  0.2479% (0.80   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.49 +/- 1.17   0.017% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  15.18 +/- 3.56   0.006% *  0.0302% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.68 +/- 0.66   0.020% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  17.69 +/- 4.02   0.002% *  0.0302% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.90 +/- 1.87   0.000% *  0.0809% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  16.04 +/- 3.08   0.003% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.92 +/- 1.61   0.002% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.10 +/- 1.44   0.002% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  23.27 +/- 4.30   0.000% *  0.0302% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.84 +/- 1.58   0.001% *  0.0015% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.0881, support = 1.41, residual support = 1.22:
          HN    LEU   71 - HG    LEU   40   5.49 +/- 1.03  61.370% * 46.8392% (0.05   1.63   1.44) =  84.765%  kept
          HN    LEU   71 - HG    LEU   73   7.31 +/- 0.94  12.858% * 36.2919% (0.28   0.24   0.02) =  13.760%  kept
          HN    THR   26 - HG    LEU   73   9.76 +/- 0.95   2.606% *  9.2642% (0.84   0.02   0.02) =   0.712%  kept
          HN    THR   26 - HG    LEU   80   9.48 +/- 4.11  10.762% *  1.1273% (0.10   0.02   0.02) =   0.358%
          HN    LEU   71 - HG12  ILE   19   8.48 +/- 1.51  11.635% *  1.0071% (0.09   0.02   0.02) =   0.346%
          HN    THR   26 - HG12  ILE   19  11.84 +/- 0.35   0.640% *  3.0255% (0.27   0.02   0.02) =   0.057%
          HN    THR   26 - HG    LEU   40  18.25 +/- 1.23   0.042% *  1.7272% (0.16   0.02   0.02) =   0.002%
          HN    LEU   71 - HG    LEU   80  21.35 +/- 3.79   0.028% *  0.3752% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  18.44 +/- 1.71   0.052% *  0.0855% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  26.07 +/- 1.70   0.006% *  0.2568% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 13 structures by 1.37 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.7, residual support = 167.1:
          HN    LEU   73 - QD2   LEU   73   2.58 +/- 0.69  72.694% * 92.8916% (0.38   7.86 170.69) =  97.908%  kept
          HN    VAL   42 - QD2   LEU   73   3.32 +/- 0.55  23.499% *  6.1043% (0.38   0.52   1.21) =   2.080%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   6.97 +/- 2.47   3.795% *  0.2143% (0.34   0.02   0.02) =   0.012%
          HN    LYS+ 106 - QD2   LEU   73  12.76 +/- 1.05   0.006% *  0.6285% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  13.36 +/- 1.84   0.005% *  0.0806% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  15.74 +/- 1.26   0.002% *  0.0806% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.77, residual support = 40.7:
          HN    LYS+  74 - QD2   LEU   73   4.02 +/- 0.22  99.824% * 96.7474% (0.25   5.77  40.74) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.87 +/- 0.99   0.110% *  0.5525% (0.41   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QD2   LEU   73  18.39 +/- 1.20   0.013% *  1.0270% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.45 +/- 1.07   0.034% *  0.3502% (0.26   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  19.32 +/- 1.57   0.010% *  0.7608% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  19.86 +/- 1.23   0.008% *  0.1143% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  25.79 +/- 1.39   0.002% *  0.1884% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  33.62 +/- 2.15   0.000% *  0.2594% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.79, residual support = 187.3:
      O   HN    LYS+  74 - HB2   LYS+  74   2.81 +/- 0.22  99.951% * 99.3064% (0.20  10.0   5.79 187.29) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.80 +/- 0.72   0.048% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  20.57 +/- 1.26   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  24.93 +/- 2.03   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.41, residual support = 31.9:
          HN    VAL   75 - HB3   LYS+  74   4.16 +/- 0.21  99.507% * 98.5323% (0.41   4.41  31.87) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.13 +/- 0.63   0.484% *  0.9422% (0.87   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB3   LYS+  74  21.16 +/- 1.20   0.006% *  0.3353% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  25.22 +/- 1.86   0.003% *  0.1902% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.53 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.04 +/- 0.52  99.804% * 99.5073% (0.84   5.68  31.87) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.89 +/- 0.91   0.191% *  0.4113% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.33 +/- 1.27   0.003% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.37 +/- 1.25   0.002% *  0.0440% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.84 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   3.61 +/- 0.14  99.981% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.57 +/- 1.50   0.019% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.18 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 37.5:
      O   HN    ASP-  78 - HB3   ASP-  78   2.56 +/- 0.57  99.963% * 99.9053% (0.95  10.0   3.95  37.48) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.14 +/- 0.65   0.037% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.83, residual support = 37.5:
      O   HN    ASP-  78 - HB2   ASP-  78   2.81 +/- 0.45  99.949% * 99.9053% (0.95  10.0   4.83  37.48) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.21 +/- 0.64   0.051% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 54.1:
      O T HB3   GLU-  79 - HA    GLU-  79   2.82 +/- 0.24  99.967% * 99.1581% (1.00  10.0 10.00   4.25  54.09) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.17 +/- 1.68   0.028% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  18.31 +/- 1.64   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  17.05 +/- 1.59   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  24.28 +/- 1.29   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  28.51 +/- 0.95   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 54.1:
      O   QG    GLU-  79 - HB3   GLU-  79   2.36 +/- 0.13  99.992% * 99.5936% (0.98  10.0   3.55  54.09) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  12.53 +/- 1.47   0.006% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  19.60 +/- 2.54   0.000% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.85 +/- 1.26   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  22.10 +/- 1.69   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  17.90 +/- 1.12   0.001% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  27.20 +/- 1.96   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.57 +/- 2.56   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.11 +/- 1.56   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  23.68 +/- 0.67   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  26.80 +/- 1.99   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  31.63 +/- 1.22   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.967, support = 2.41, residual support = 5.84:
          HB2   ASP-  76 - HB3   GLU-  79   3.24 +/- 0.83  89.560% * 39.6661% (1.00  1.00   2.15   4.40) =  86.943%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.36 +/- 0.76   9.119% * 58.4846% (0.76  1.00   4.13  15.47) =  13.053%  kept
          HB2   ASP-  78 - HB2   GLN   90   9.22 +/- 1.88   1.164% *  0.1052% (0.28  1.00   0.02   0.02) =   0.003%
        T HB2   ASN   28 - HB3   GLU-  79  14.34 +/- 2.29   0.036% *  0.6485% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HB2   GLN   90  11.99 +/- 1.81   0.112% *  0.1373% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  18.41 +/- 1.85   0.005% *  0.0923% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  22.76 +/- 1.91   0.001% *  0.2410% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.39 +/- 1.37   0.000% *  0.3574% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.47 +/- 1.42   0.001% *  0.0733% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  32.25 +/- 1.09   0.000% *  0.1328% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  26.21 +/- 1.54   0.001% *  0.0272% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  26.78 +/- 1.58   0.001% *  0.0343% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.25, residual support = 54.1:
      O T HA    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.24  97.660% * 98.8585% (0.80  10.0 10.00   4.25  54.09) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   6.38 +/- 2.10   1.645% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.69 +/- 0.83   0.375% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.17 +/- 1.68   0.027% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  10.60 +/- 1.77   0.072% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   8.71 +/- 0.85   0.168% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.52 +/- 1.04   0.019% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.92 +/- 1.13   0.015% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.48 +/- 1.43   0.003% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.45 +/- 1.79   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  15.78 +/- 1.74   0.006% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.67 +/- 0.60   0.006% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.93 +/- 1.40   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.76 +/- 1.82   0.000% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  24.45 +/- 1.01   0.000% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.42 +/- 1.46   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.86 +/- 2.10   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.81 +/- 0.69   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  31.37 +/- 2.45   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  41.22 +/- 1.74   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 = 95.3:
      O T HA    GLN   90 - HB2   GLN   90   2.53 +/- 0.30  97.818% * 96.0605% (0.27  10.0 10.00   3.96  95.31) =  99.998%  kept
          HA    ALA   91 - HB2   GLN   90   5.17 +/- 0.27   2.112% *  0.0644% (0.18   1.0  1.00   0.02  32.55) =   0.001%
        T HA    GLN   90 - HB3   GLU-  79  10.87 +/- 1.44   0.023% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB3   GLU-  79  12.41 +/- 2.22   0.017% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  12.28 +/- 1.95   0.015% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.01 +/- 1.92   0.007% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  16.75 +/- 2.11   0.004% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.56 +/- 2.61   0.001% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.27 +/- 1.16   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.34 +/- 1.59   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.19 +/- 1.25   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  21.23 +/- 1.46   0.000% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 2.01, residual support = 4.82:
          HB2   ASP-  76 - HB2   GLU-  79   2.42 +/- 0.57  97.733% * 36.7505% (1.00   1.92   4.40) =  96.210%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.17 +/- 0.62   2.259% * 62.6399% (0.76   4.27  15.47) =   3.790%  kept
          HB2   ASN   28 - HB2   GLU-  79  14.24 +/- 1.85   0.006% *  0.0673% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  18.16 +/- 1.56   0.001% *  0.0958% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  25.86 +/- 0.98   0.000% *  0.3706% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  23.91 +/- 1.22   0.000% *  0.0760% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.31, residual support = 48.0:
          HN    LEU   80 - HB2   GLU-  79   3.16 +/- 0.52  99.857% * 98.4973% (0.61   5.31  48.03) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.20 +/- 0.62   0.124% *  0.2979% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  15.25 +/- 1.67   0.014% *  0.2297% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  18.73 +/- 1.74   0.003% *  0.5308% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.87 +/- 1.60   0.002% *  0.4444% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.48, residual support = 48.0:
          HN    LEU   80 - HB3   GLU-  79   3.00 +/- 0.66  99.370% * 97.8854% (0.61   5.48  48.03) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   9.21 +/- 0.99   0.234% *  0.1064% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.05 +/- 1.07   0.086% *  0.2864% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  10.82 +/- 1.54   0.119% *  0.1326% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  10.67 +/- 1.40   0.174% *  0.0821% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.72 +/- 1.75   0.011% *  0.2209% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  18.97 +/- 2.17   0.003% *  0.5105% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  20.21 +/- 1.94   0.002% *  0.4273% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  27.03 +/- 1.50   0.000% *  0.1897% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  27.93 +/- 1.07   0.000% *  0.1588% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 95.3:
      O   HN    GLN   90 - HB2   GLN   90   3.46 +/- 0.65  98.586% * 98.6230% (0.23  10.0   5.58  95.31) =  99.999%  kept
          HE1   HIS   22 - HB3   GLU-  79  10.64 +/- 2.10   1.277% *  0.0675% (0.15   1.0   0.02   0.02) =   0.001%
          HN    GLN   90 - HB3   GLU-  79  12.49 +/- 1.27   0.088% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  13.63 +/- 2.15   0.038% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.03 +/- 2.12   0.006% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  24.44 +/- 1.98   0.001% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  25.98 +/- 1.34   0.001% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  22.44 +/- 2.83   0.003% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.07, residual support = 48.0:
          HN    LEU   80 - QG    GLU-  79   3.87 +/- 0.11  99.562% * 98.4288% (0.61   5.07  48.03) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79   9.93 +/- 0.54   0.360% *  0.3114% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  16.72 +/- 1.92   0.020% *  0.5550% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  15.11 +/- 2.06   0.044% *  0.2401% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.85 +/- 1.78   0.013% *  0.4646% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.43, residual support = 48.0:
      O   HN    LEU   80 - HA    GLU-  79   3.62 +/- 0.01  99.733% * 99.2120% (0.28  10.0   5.43  48.03) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79   9.85 +/- 0.49   0.261% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  20.74 +/- 1.81   0.003% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  22.04 +/- 1.49   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.651, support = 4.28, residual support = 81.1:
      O   HB2   LEU   80 - QD2   LEU   80   2.38 +/- 0.29  36.016% * 71.2691% (0.87  10.0  1.00   4.15  81.14) =  58.896%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.01  63.919% * 28.0259% (0.34  10.0  1.00   4.48  81.14) =  41.104%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.03 +/- 3.69   0.030% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   9.16 +/- 2.43   0.028% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  14.12 +/- 4.20   0.002% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  13.94 +/- 2.68   0.001% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  14.68 +/- 3.38   0.001% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.12 +/- 2.32   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  16.62 +/- 4.28   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  14.09 +/- 1.30   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  19.76 +/- 2.36   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  22.26 +/- 4.34   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.99 +/- 1.75   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  21.75 +/- 5.08   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  22.40 +/- 2.82   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 = 0.887, support = 5.21, residual support = 63.0:
          HA    LEU   80 - QD2   LEU   80   2.85 +/- 0.88  50.074% * 63.5581% (0.87   6.25  81.14) =  77.348%  kept
          HA    THR   23 - QD2   LEU   80   5.27 +/- 3.68  42.125% * 19.0083% (0.99   1.63   1.27) =  19.460%  kept
          HB    THR   23 - QD2   LEU   80   5.56 +/- 3.08   7.659% * 17.1406% (0.73   2.01   1.27) =   3.191%  kept
          HA    ASP-  78 - QD2   LEU   80   6.85 +/- 0.63   0.141% *  0.1878% (0.80   0.02   4.81) =   0.001%
          HA    ASP- 105 - QD2   LEU   80  19.79 +/- 4.30   0.001% *  0.1052% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.644, support = 3.86, residual support = 19.3:
          HE3   TRP   27 - QD2   LEU   80   6.97 +/- 5.22  45.966% * 42.7043% (0.92   2.24   3.60) =  48.808%  kept
          HN    LYS+  81 - QD2   LEU   80   4.55 +/- 1.08  43.793% * 44.0685% (0.38   5.68  36.53) =  47.985%  kept
          HN    THR   23 - QD2   LEU   80   6.28 +/- 3.11  10.214% * 12.6267% (0.41   1.48   1.27) =   3.207%  kept
          QE    PHE   95 - QD2   LEU   80  13.35 +/- 3.16   0.023% *  0.1855% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.86 +/- 1.93   0.003% *  0.3589% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  19.91 +/- 2.64   0.001% *  0.0560% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.46, residual support = 6.38:
          HN    VAL   24 - QD2   LEU   80   5.46 +/- 4.53  97.111% * 99.4174% (0.31   2.46   6.38) =  99.983%  kept
          HN    VAL   43 - QD2   LEU   80  12.67 +/- 4.06   2.889% *  0.5826% (0.22   0.02   0.02) =   0.017%
    Distance limit 3.44 A violated in 8 structures by 2.83 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.269, support = 4.81, residual support = 33.1:
          HN    LYS+  81 - QD1   LEU   80   3.58 +/- 0.71  67.153% * 62.0174% (0.24   5.26  36.53) =  89.887%  kept
          HE3   TRP   27 - QD1   LEU   80   8.25 +/- 4.83  11.366% * 29.1120% (0.60   1.00   3.60) =   7.142%  kept
          HN    THR   23 - QD1   LEU   80   6.95 +/- 3.52  20.130% *  6.8199% (0.27   0.53   1.27) =   2.963%  kept
          HE3   TRP   27 - QD2   LEU   98   7.71 +/- 1.45   0.982% *  0.3326% (0.34   0.02   0.02) =   0.007%
          QE    PHE   95 - QD2   LEU   98   9.82 +/- 1.39   0.252% *  0.1615% (0.17   0.02   0.02) =   0.001%
          QE    PHE   95 - QD1   LEU   80  14.70 +/- 3.21   0.033% *  0.2818% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  12.04 +/- 1.37   0.049% *  0.1481% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  18.95 +/- 1.79   0.003% *  0.5452% (0.56   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.69 +/- 1.00   0.004% *  0.3125% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  17.50 +/- 2.88   0.007% *  0.1352% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  14.14 +/- 1.29   0.018% *  0.0488% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  21.51 +/- 2.95   0.002% *  0.0851% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 110.1:
          HN    LYS+  81 - QG    LYS+  81   2.55 +/- 0.38  99.954% * 98.7952% (0.87   5.92 110.14) = 100.000%  kept
          HE3   TRP   27 - QG    LYS+  81  13.17 +/- 2.95   0.017% *  0.1726% (0.45   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+  33  13.11 +/- 0.71   0.007% *  0.0826% (0.21   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  15.83 +/- 1.04   0.003% *  0.2026% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.29 +/- 1.40   0.008% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.29 +/- 1.54   0.003% *  0.0380% (0.10   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  17.36 +/- 1.79   0.001% *  0.0970% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  19.42 +/- 1.92   0.001% *  0.1445% (0.38   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.08 +/- 1.11   0.002% *  0.0318% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  24.05 +/- 3.27   0.000% *  0.1599% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  23.89 +/- 2.83   0.000% *  0.0735% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  19.60 +/- 2.50   0.001% *  0.0249% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.11 +/- 2.16   0.002% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  25.31 +/- 1.13   0.000% *  0.0521% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.81 +/- 1.60   0.000% *  0.0692% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.64, support = 0.0198, residual support = 0.0198:
          HN    GLU-  79 - QG    LYS+  81   5.94 +/- 0.82  93.626% * 29.1271% (0.65   0.02   0.02) =  98.917%  kept
          HN    VAL   70 - HG2   LYS+  33  13.02 +/- 2.43   1.427% *  8.8625% (0.20   0.02   0.02) =   0.459%
          HN    THR   94 - HG2   LYS+ 106  10.83 +/- 1.13   4.169% *  2.4703% (0.05   0.02   0.02) =   0.374%
          HN    THR   94 - QG    LYS+  81  15.06 +/- 1.22   0.407% * 11.2272% (0.25   0.02   0.02) =   0.166%
          HN    VAL   70 - HG2   LYS+ 106  17.84 +/- 1.92   0.197% *  4.0728% (0.09   0.02   0.02) =   0.029%
          HN    GLU-  79 - HG2   LYS+  33  21.92 +/- 1.39   0.041% * 13.9455% (0.31   0.02   0.02) =   0.021%
          HN    GLU-  79 - HG2   LYS+ 106  21.40 +/- 1.81   0.062% *  6.4088% (0.14   0.02   0.02) =   0.015%
          HN    THR   94 - HG2   LYS+  33  21.43 +/- 1.74   0.055% *  5.3754% (0.12   0.02   0.02) =   0.011%
          HN    VAL   70 - QG    LYS+  81  26.19 +/- 1.18   0.015% * 18.5105% (0.41   0.02   0.02) =   0.010%
    Distance limit 3.77 A violated in 20 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.29, residual support = 110.1:
      O   HN    LYS+  81 - QB    LYS+  81   2.27 +/- 0.17  98.109% * 99.1682% (0.38  10.0   5.29 110.14) =  99.999%  kept
          QD    PHE   55 - HB3   PRO   52   5.81 +/- 0.81   1.831% *  0.0263% (0.10   1.0   0.02   0.49) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  13.11 +/- 3.11   0.005% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  11.89 +/- 2.26   0.007% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.93 +/- 2.48   0.045% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  20.37 +/- 1.92   0.000% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  17.83 +/- 1.87   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  19.21 +/- 1.56   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.62 +/- 2.33   0.000% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  20.86 +/- 1.50   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  26.78 +/- 1.12   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.39 +/- 1.36   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 110.1:
      O   HN    LYS+  81 - HA    LYS+  81   2.77 +/- 0.04  99.979% * 99.8291% (0.87  10.0   5.37 110.14) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  13.14 +/- 2.99   0.017% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  16.78 +/- 1.09   0.002% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.77 +/- 1.98   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  27.30 +/- 1.09   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.454, support = 4.05, residual support = 31.8:
          HA    LEU   80 - QG    LYS+  81   4.39 +/- 0.53  46.740% * 85.5957% (0.38   4.61  36.53) =  86.998%  kept
          HA    ASP-  78 - QG    LYS+  81   4.41 +/- 1.39  51.917% * 11.5066% (0.98   0.24   0.02) =  12.990%  kept
          HA    THR   23 - QG    LYS+  81  10.43 +/- 2.53   0.443% *  0.7555% (0.76   0.02   0.02) =   0.007%
          HB    THR   23 - QG    LYS+  81   9.98 +/- 2.64   0.714% *  0.2465% (0.25   0.02   0.02) =   0.004%
          HA    PHE   45 - QG    LYS+  81  11.95 +/- 1.12   0.082% *  0.1525% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.20 +/- 0.86   0.019% *  0.3617% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  16.04 +/- 0.70   0.014% *  0.1180% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.94 +/- 1.40   0.048% *  0.0336% (0.03   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  19.63 +/- 1.68   0.005% *  0.1662% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  22.03 +/- 1.85   0.003% *  0.2132% (0.22   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  21.95 +/- 3.44   0.003% *  0.1776% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  24.81 +/- 1.23   0.001% *  0.4639% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  18.90 +/- 1.29   0.005% *  0.0730% (0.07   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  22.78 +/- 3.17   0.003% *  0.0816% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  21.57 +/- 1.67   0.003% *  0.0542% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 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   2.94 +/- 0.31 100.000% * 99.5254% (0.41  10.0   3.70  34.83) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  26.80 +/- 1.86   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  29.35 +/- 2.78   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.368, support = 3.64, residual support = 15.8:
      O   HN    TRP   49 - HA    SER   48   3.55 +/- 0.04  29.153% * 84.7041% (0.40  10.0   3.62  15.42) =  80.067%  kept
          HN    VAL   83 - HB2   SER   82   3.24 +/- 0.23  51.223% * 10.3259% (0.24   1.0   4.10  19.95) =  17.150%  kept
          HN    CYS   50 - HA    SER   48   3.82 +/- 0.19  19.510% *  4.3997% (0.36   1.0   1.16   0.02) =   2.783%  kept
          HE22  GLN   30 - HA    VAL   70   9.97 +/- 0.90   0.070% *  0.0239% (0.11   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  12.92 +/- 2.23   0.032% *  0.0276% (0.13   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  16.63 +/- 1.77   0.004% *  0.1543% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  17.62 +/- 1.71   0.003% *  0.1387% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  18.60 +/- 2.84   0.002% *  0.0689% (0.32   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.43 +/- 1.46   0.001% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.04 +/- 0.79   0.000% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.36 +/- 0.57   0.000% *  0.0536% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  24.77 +/- 1.97   0.000% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.32, residual support = 34.8:
      O   HN    SER   82 - HB2   SER   82   2.37 +/- 0.58  99.534% * 99.0159% (0.39  10.0   4.32  34.83) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.09 +/- 1.09   0.409% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  13.14 +/- 2.19   0.055% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.67 +/- 1.27   0.001% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.73 +/- 1.76   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  23.31 +/- 1.00   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  27.26 +/- 1.91   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  30.07 +/- 2.57   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  26.73 +/- 2.10   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.35, residual support = 43.1:
          HN    ALA   84 - HB    VAL   83   3.08 +/- 0.16  99.994% * 98.8177% (0.44   5.35  43.09) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  22.44 +/- 3.75   0.001% *  0.6803% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  19.87 +/- 2.13   0.002% *  0.3692% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  18.75 +/- 1.25   0.002% *  0.1328% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.4:
      O   HN    VAL   83 - HB    VAL   83   2.26 +/- 0.16  99.993% * 99.8243% (0.65  10.0   4.77  87.35) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  13.79 +/- 1.56   0.003% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  13.18 +/- 1.59   0.004% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.942, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   8.71 +/- 0.39  87.909% * 31.7530% (0.96   0.02   0.02) =  91.732%  kept
          HD21  ASN   28 - HA    ALA   84  15.10 +/- 2.65   4.519% * 30.7120% (0.93   0.02   0.02) =   4.561%  kept
          QE    PHE   60 - HA    ALA   84  14.51 +/- 1.73   5.662% * 16.7431% (0.51   0.02   0.02) =   3.115%  kept
          HN    ILE   56 - HA    ALA   84  17.56 +/- 0.94   1.546% *  8.8482% (0.27   0.02   0.02) =   0.450%
          HN    LEU   63 - HA    ALA   84  21.91 +/- 0.94   0.364% * 11.9438% (0.36   0.02   0.02) =   0.143%
    Distance limit 3.46 A violated in 20 structures by 5.09 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.02, residual support = 0.02:
          QE    PHE   45 - HA    ALA   84   7.07 +/- 1.55  99.310% * 37.7702% (0.81   0.02   0.02) =  99.291%  kept
          QD    PHE   72 - HA    ALA   84  18.31 +/- 0.95   0.557% * 43.6396% (0.93   0.02   0.02) =   0.643%  kept
          HZ    PHE   72 - HA    ALA   84  23.16 +/- 1.56   0.134% * 18.5902% (0.40   0.02   0.02) =   0.066%
    Distance limit 4.00 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.35, residual support = 12.4:
          HB    ILE   89 - HA    ALA   84   1.98 +/- 0.22  99.999% * 98.4359% (0.91   1.35  12.43) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  15.56 +/- 1.20   0.001% *  0.6912% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  25.20 +/- 2.08   0.000% *  0.8729% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.736, support = 3.28, residual support = 33.2:
          QG2   VAL   83 - HA    ALA   84   3.71 +/- 0.52  68.403% * 49.3013% (0.66   3.55  43.09) =  67.852%  kept
          QD1   ILE   89 - HA    ALA   84   4.30 +/- 0.43  31.579% * 50.5979% (0.89   2.71  12.43) =  32.148%  kept
          QD2   LEU   31 - HA    ALA   84  15.00 +/- 1.99   0.018% *  0.1008% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.77, residual support = 12.4:
          HG13  ILE   89 - HA    ALA   84   3.44 +/- 0.77 100.000% *100.0000% (0.55   2.77  12.43) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.736, support = 3.58, residual support = 33.3:
          QG2   VAL   83 - QB    ALA   84   4.20 +/- 0.42  74.479% * 41.7985% (0.66  1.00   3.56  43.09) =  68.102%  kept
          QD1   ILE   89 - QB    ALA   84   5.14 +/- 0.32  25.425% * 57.3482% (0.89  1.00   3.63  12.43) =  31.897%  kept
        T QD2   LEU   31 - QB    ALA   84  13.36 +/- 1.78   0.095% *  0.8533% (0.24 10.00   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.67, residual support = 12.4:
          HG13  ILE   89 - QB    ALA   84   4.86 +/- 0.64 100.000% *100.0000% (0.55   3.67  12.43) = 100.000%  kept
    Distance limit 3.71 A violated in 14 structures by 1.17 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   6.89 +/- 0.99  99.772% * 73.1356% (0.87   0.02   0.02) =  99.957%  kept
          HD2   HIS  122 - QB    ALA   84  21.06 +/- 1.40   0.139% * 14.2817% (0.17   0.02   0.02) =   0.027%
          HE22  GLN  116 - QB    ALA   84  23.72 +/- 1.89   0.089% * 12.5826% (0.15   0.02   0.02) =   0.015%
    Distance limit 3.93 A violated in 20 structures by 2.97 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.602, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   8.77 +/- 1.16  96.482% * 28.9138% (0.59   0.02   0.02) =  94.642%  kept
          HE22  GLN   30 - QB    ALA   84  16.59 +/- 1.54   3.331% * 46.0056% (0.93   0.02   0.02) =   5.199%  kept
          HD22  ASN   69 - QB    ALA   84  25.97 +/- 0.89   0.187% * 25.0806% (0.51   0.02   0.02) =   0.159%
    Distance limit 4.14 A violated in 20 structures by 4.58 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.1:
      O   HN    SER   85 - QB    SER   85   2.16 +/- 0.06  99.969% * 99.7822% (0.99  10.0   3.15  18.12) = 100.000%  kept
          HN    SER   85 - QB    SER   48  10.21 +/- 2.08   0.021% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.40 +/- 0.95   0.005% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  15.39 +/- 1.05   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  21.55 +/- 3.00   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.90 +/- 1.30   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.50 +/- 1.08   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  23.60 +/- 2.49   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.10 +/- 1.32   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  25.26 +/- 2.21   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.37 +/- 1.30   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  24.05 +/- 0.86   0.000% *  0.0043% (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 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   3.03 +/- 0.06  99.807% * 97.6195% (0.87   3.33  13.44) = 100.000%  kept
          HN    ASP-  86 - QB    SER   48  11.53 +/- 2.37   0.100% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   85  17.94 +/- 2.73   0.003% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  19.17 +/- 2.57   0.002% *  0.5408% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.31 +/- 0.91   0.077% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  20.27 +/- 1.00   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  20.36 +/- 1.04   0.001% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.38 +/- 1.73   0.003% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  23.14 +/- 0.65   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  24.51 +/- 2.57   0.000% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.70 +/- 1.16   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.22 +/- 1.22   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  26.44 +/- 2.48   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.47 +/- 1.09   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  30.61 +/- 1.68   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  22.22 +/- 1.22   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  26.74 +/- 2.30   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.80 +/- 1.38   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.1:
      O   HN    SER  117 - QB    SER  117   2.16 +/- 0.12 100.000% * 98.5738% (0.12  10.0   2.79  15.13) = 100.000%  kept
          HN    SER  117 - QB    SER   85  26.63 +/- 1.94   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.85 +/- 0.86   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  27.45 +/- 1.02   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.35 +/- 1.38   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.86 +/- 1.49   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HN    SER   85 - HA    SER   85   2.81 +/- 0.02  99.996% * 99.8725% (0.99  10.0   3.65  18.12) = 100.000%  kept
          HN    THR   94 - HA    SER   85  15.82 +/- 0.99   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  24.80 +/- 2.86   0.000% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  26.84 +/- 2.28   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.6:
      O   HN    ASP-  86 - HB3   ASP-  86   2.95 +/- 0.58  99.985% * 99.6620% (0.95  10.0   3.56  41.58) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  18.09 +/- 2.51   0.005% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  16.96 +/- 2.65   0.008% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  22.24 +/- 3.38   0.001% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  25.64 +/- 3.54   0.001% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  31.65 +/- 2.23   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.98, residual support = 41.6:
      O   HN    ASP-  86 - HB2   ASP-  86   2.48 +/- 0.51  99.997% * 99.2641% (0.49  10.0   4.98  41.58) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  17.94 +/- 2.50   0.001% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  22.33 +/- 3.18   0.000% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  16.84 +/- 2.56   0.001% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  25.40 +/- 3.48   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  31.38 +/- 2.29   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.401, support = 3.62, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.27 +/- 0.34  92.886% * 36.6845% (0.38   3.60  22.47) =  88.737%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.51 +/- 0.74   7.024% * 61.5698% (0.61   3.74  22.47) =  11.262%  kept
          HN    ALA   91 - HB2   ASP-  86  11.12 +/- 0.51   0.069% *  0.5130% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  14.45 +/- 2.19   0.020% *  0.5234% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASP-  86  22.72 +/- 1.08   0.001% *  0.4864% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  26.44 +/- 2.42   0.000% *  0.2229% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.05 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   2.59 +/- 0.65  99.052% * 98.2344% (0.22 10.00   2.25  10.83) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   5.79 +/- 1.09   0.940% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HD3   PRO   52 - HB2   ASP-  86  18.37 +/- 1.95   0.003% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  17.77 +/- 0.91   0.003% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   ASP-  86  20.55 +/- 2.45   0.001% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.87 +/- 1.16   0.000% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  24.72 +/- 2.99   0.000% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  26.03 +/- 2.39   0.000% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  30.74 +/- 2.30   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.6:
      O   HN    ASP-  86 - HA    ASP-  86   2.74 +/- 0.01  99.997% * 99.2641% (0.49  10.0   4.05  41.58) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  20.12 +/- 2.66   0.001% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  24.56 +/- 3.33   0.000% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  18.80 +/- 2.79   0.001% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  27.98 +/- 3.42   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  33.94 +/- 2.24   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.5, residual support = 74.0:
          HE3   TRP   87 - HA    TRP   87   3.40 +/- 0.12  99.814% * 98.5557% (0.99   3.50  74.01) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.84 +/- 0.54   0.179% *  0.4934% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  18.28 +/- 2.37   0.006% *  0.2993% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    TRP   87  23.86 +/- 1.04   0.001% *  0.5251% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  28.85 +/- 1.02   0.000% *  0.1266% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.19, residual support = 74.0:
      O   HE3   TRP   87 - HB2   TRP   87   2.45 +/- 0.04  99.968% * 99.7445% (0.99  10.0   3.19  74.01) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.62 +/- 0.59   0.030% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  17.55 +/- 2.78   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   87  22.63 +/- 1.01   0.000% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  27.65 +/- 1.34   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.19, residual support = 74.0:
      O   HE3   TRP   87 - HB3   TRP   87   4.01 +/- 0.04  98.380% * 99.7445% (0.99  10.0   3.19  74.01) =  99.999%  kept
          HN    ALA   91 - HB3   TRP   87   8.16 +/- 0.65   1.580% *  0.0873% (0.87   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  16.72 +/- 2.46   0.034% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   87  21.21 +/- 0.99   0.005% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  26.40 +/- 1.17   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.81 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.9, support = 2.18, residual support = 20.2:
          QD1   ILE   89 - HB2   TRP   87   3.74 +/- 0.38  95.313% * 61.2549% (0.90   2.21  20.45) =  97.034%  kept
          QG2   VAL   83 - HB2   TRP   87   6.26 +/- 0.54   4.660% * 38.2962% (1.00   1.24  13.56) =   2.966%  kept
          QD2   LEU   31 - HB2   TRP   87  15.47 +/- 2.30   0.026% *  0.4489% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.82, residual support = 20.4:
        T QD1   ILE   89 - HB3   TRP   87   2.45 +/- 0.44  98.649% * 99.8495% (0.45 10.00   3.82  20.45) =  99.999%  kept
          QG2   VAL   83 - HB3   TRP   87   5.30 +/- 0.51   1.315% *  0.0496% (0.22  1.00   0.02  13.56) =   0.001%
          QG2   VAL   75 - HB3   TRP   87  10.28 +/- 1.75   0.035% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  16.31 +/- 0.97   0.002% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 20.4:
          HG12  ILE   89 - HB3   TRP   87   2.37 +/- 0.61  99.586% * 54.8868% (0.22   0.75  20.45) =  99.958%  kept
          QB    ALA   91 - HB3   TRP   87   8.73 +/- 1.36   0.397% *  5.7027% (0.87   0.02   0.02) =   0.041%
          QG2   ILE   56 - HB3   TRP   87  13.81 +/- 1.12   0.007% *  2.7027% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   TRP   87  16.10 +/- 1.27   0.003% *  5.8960% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  17.05 +/- 3.08   0.003% *  1.1513% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  21.86 +/- 1.30   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  18.86 +/- 1.58   0.001% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  23.80 +/- 2.02   0.000% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  24.29 +/- 1.94   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  25.69 +/- 2.10   0.000% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  29.46 +/- 1.88   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.4:
      O   HN    ALA   88 - HA    ALA   88   2.30 +/- 0.12  99.999% * 99.0353% (0.38  10.0   1.63  11.43) = 100.000%  kept
          HN    PHE   55 - HA    ALA   88  19.23 +/- 1.67   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  17.75 +/- 1.66   0.001% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  23.17 +/- 2.10   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  25.07 +/- 1.04   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 = 1.96, residual support = 11.4:
      O   HN    ALA   88 - QB    ALA   88   2.58 +/- 0.17  99.993% * 99.1960% (0.38  10.0   1.96  11.43) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  16.11 +/- 1.61   0.002% *  0.2337% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  15.05 +/- 1.71   0.004% *  0.1208% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  20.50 +/- 1.78   0.000% *  0.2337% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  21.50 +/- 1.03   0.000% *  0.2157% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 214.4:
          QD1   ILE   89 - HA    ILE   89   2.62 +/- 0.63  98.442% * 99.6619% (0.92   5.98 214.37) =  99.996%  kept
          QG2   VAL   83 - HA    ILE   89   5.84 +/- 0.62   1.555% *  0.2481% (0.69   0.02   0.02) =   0.004%
          QD2   LEU   31 - HA    ILE   89  15.88 +/- 1.48   0.003% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.23, residual support = 38.6:
      O   HN    GLN   90 - HA    ILE   89   2.21 +/- 0.02  99.983% * 99.8365% (0.99  10.0   6.23  38.58) = 100.000%  kept
          HN    SER   82 - HA    ILE   89  10.69 +/- 0.23   0.008% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  11.51 +/- 2.37   0.009% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  21.66 +/- 1.73   0.000% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 5.96, residual support = 214.4:
      O   HN    ILE   89 - HA    ILE   89   2.83 +/- 0.01  99.997% * 99.6601% (0.76  10.0   5.96 214.37) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  17.15 +/- 1.47   0.002% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  21.73 +/- 1.02   0.001% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  28.62 +/- 1.26   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  24.90 +/- 1.56   0.000% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.916, support = 2.43, residual support = 8.5:
          HN    ALA   91 - HA    ILE   89   3.98 +/- 0.44  78.074% * 80.9424% (0.95   2.49   7.83) =  94.749%  kept
          HD1   TRP   87 - HA    ILE   89   5.08 +/- 0.24  20.473% * 17.0775% (0.38   1.32  20.45) =   5.242%  kept
          HE3   TRP   87 - HA    ILE   89   8.11 +/- 0.58   1.432% *  0.4171% (0.61   0.02  20.45) =   0.009%
          HN    TRP   27 - HA    ILE   89  17.23 +/- 1.72   0.013% *  0.6636% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  18.87 +/- 1.23   0.008% *  0.6167% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  27.61 +/- 1.21   0.001% *  0.2827% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.737, support = 5.26, residual support = 211.9:
      O T QD1   ILE   89 - HB    ILE   89   3.01 +/- 0.22  65.210% * 97.4518% (0.74  10.0 10.00   5.31 214.37) =  98.833%  kept
          QG2   VAL   83 - HB    ILE   89   3.62 +/- 0.96  33.533% *  2.2358% (0.55   1.0  1.00   0.62   0.02) =   1.166%  kept
        T QD2   LEU   31 - HB    VAL   43   6.63 +/- 0.75   0.813% *  0.0575% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HB    VAL   43   9.02 +/- 0.79   0.108% *  0.2128% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB    VAL   43   8.48 +/- 2.00   0.329% *  0.0158% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  14.52 +/- 1.68   0.006% *  0.0263% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 214.4:
      O T HG13  ILE   89 - HB    ILE   89   2.33 +/- 0.11  99.993% * 99.7821% (0.78  10.0 10.00   4.97 214.37) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  11.79 +/- 1.24   0.007% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.53, residual support = 214.4:
      O   HN    ILE   89 - HB    ILE   89   2.41 +/- 0.10  99.970% * 99.5645% (0.61  10.0   5.53 214.37) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43  10.28 +/- 0.61   0.019% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  15.16 +/- 1.34   0.002% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.38 +/- 1.07   0.002% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  14.29 +/- 1.19   0.003% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  22.31 +/- 1.48   0.000% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.11 +/- 0.48   0.001% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.78 +/- 0.64   0.003% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  27.10 +/- 1.44   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  23.06 +/- 1.72   0.000% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89  12.15 +/- 1.28 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.47 A violated in 20 structures by 8.68 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 1.01, residual support = 20.4:
          HD1   TRP   87 - QG2   ILE   89   3.98 +/- 0.11  99.842% * 94.0516% (0.95   1.01  20.45) =  99.999%  kept
          HN    TRP   27 - QG2   ILE   89  12.35 +/- 1.27   0.139% *  0.6739% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   ILE   89  18.51 +/- 1.47   0.011% *  1.5819% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE   89  20.97 +/- 0.91   0.005% *  1.8237% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  21.58 +/- 0.97   0.004% *  1.8688% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.09, residual support = 38.6:
          HN    GLN   90 - QG2   ILE   89   3.18 +/- 0.28  99.599% * 99.1706% (0.61   7.09  38.58) =  99.998%  kept
          HN    SER   82 - QG2   ILE   89   8.16 +/- 0.29   0.388% *  0.4260% (0.92   0.02   0.02) =   0.002%
          HN    ILE  103 - QG2   ILE   89  16.84 +/- 1.55   0.006% *  0.1897% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  17.03 +/- 1.78   0.006% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  19.95 +/- 0.45   0.002% *  0.1424% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 6.67:
        T HB2   PHE   45 - QG2   ILE   89   4.90 +/- 0.40  98.379% * 99.5807% (0.97 10.00   0.75   6.67) =  99.996%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.05 +/- 2.17   0.984% *  0.2745% (1.00  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - QG2   ILE   89  12.05 +/- 1.25   0.637% *  0.1448% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 12 structures by 0.98 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.25, support = 4.93, residual support = 32.1:
          QG    GLN   90 - QG2   ILE   89   4.43 +/- 0.40  46.741% * 78.0993% (0.15   5.87  38.58) =  83.236%  kept
          HG2   MET   92 - QG2   ILE   89   5.48 +/- 2.57  49.359% * 14.8387% (0.73   0.24   0.02) =  16.700%  kept
          HB2   GLU-  79 - QG2   ILE   89   7.99 +/- 1.13   2.038% *  0.9757% (0.57   0.02   0.02) =   0.045%
          HG2   PRO   52 - QG2   ILE   89   8.46 +/- 1.80   1.374% *  0.3837% (0.22   0.02   0.02) =   0.012%
          HB2   ASP-  44 - QG2   ILE   89   9.60 +/- 0.42   0.346% *  0.4792% (0.28   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  12.57 +/- 2.12   0.098% *  1.1149% (0.65   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE   89  14.38 +/- 0.82   0.032% *  0.3411% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  19.12 +/- 1.16   0.006% *  0.6468% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  23.96 +/- 1.27   0.001% *  1.2514% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  20.95 +/- 1.40   0.004% *  0.4297% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  27.78 +/- 1.30   0.001% *  1.4395% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 0.747, residual support = 6.64:
        T HB3   PHE   45 - QG2   ILE   89   3.93 +/- 0.25  94.338% * 90.9863% (0.49 10.00   0.75   6.67) =  99.547%  kept
          HB3   ASP-  86 - QG2   ILE   89   6.67 +/- 0.49   5.145% *  7.5748% (1.00  1.00   0.30   0.02) =   0.452%
          HG3   MET   96 - QG2   ILE   89  11.07 +/- 1.25   0.223% *  0.1700% (0.34  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  14.17 +/- 2.17   0.071% *  0.2426% (0.49  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QG2   ILE   89  11.52 +/- 1.21   0.187% *  0.0769% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  16.38 +/- 0.84   0.020% *  0.3809% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.40 +/- 1.35   0.014% *  0.4811% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  24.05 +/- 1.57   0.002% *  0.0873% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.459, support = 2.37, residual support = 11.6:
          QB    ALA   84 - QG2   ILE   89   3.81 +/- 0.09  86.655% * 34.3459% (0.49   1.87  12.43) =  84.498%  kept
          QB    ALA   88 - QG2   ILE   89   5.56 +/- 0.03   9.107% * 59.6563% (0.31   5.13   7.05) =  15.425%  kept
          HB3   LEU   80 - QG2   ILE   89   7.25 +/- 0.89   2.530% *  0.7475% (0.99   0.02   0.02) =   0.054%
          HB3   ASP-  44 - QG2   ILE   89   8.99 +/- 0.43   0.529% *  0.6542% (0.87   0.02   0.02) =   0.010%
          HB3   PRO   93 - QG2   ILE   89   8.28 +/- 0.63   0.945% *  0.3381% (0.45   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - QG2   ILE   89  12.81 +/- 2.14   0.129% *  0.7278% (0.97   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG2   ILE   89  14.38 +/- 0.97   0.033% *  0.7134% (0.95   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  14.12 +/- 2.01   0.044% *  0.4574% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  15.82 +/- 1.38   0.019% *  0.7475% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  20.16 +/- 1.08   0.004% *  0.5476% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  20.36 +/- 1.14   0.004% *  0.5764% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  23.26 +/- 1.22   0.002% *  0.4879% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.78, residual support = 214.4:
      O T HG13  ILE   89 - QG2   ILE   89   2.74 +/- 0.33 100.000% *100.0000% (0.98  10.0 10.00   5.78 214.37) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.4, residual support = 214.3:
        T QD1   ILE   89 - QG2   ILE   89   1.86 +/- 0.17  93.295% * 99.2348% (0.92 10.00   6.40 214.37) =  99.947%  kept
        T QG2   VAL   83 - QG2   ILE   89   3.44 +/- 0.67   6.703% *  0.7384% (0.69 10.00   0.02   0.02) =   0.053%
          QD2   LEU   31 - QG2   ILE   89  11.64 +/- 1.09   0.002% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.48, residual support = 214.4:
      O T QD1   ILE   89 - HG12  ILE   89   2.16 +/- 0.01  98.052% * 99.4549% (0.92  10.0 10.00   5.48 214.37) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   4.61 +/- 0.78   1.936% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  10.62 +/- 1.36   0.010% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  19.96 +/- 1.45   0.000% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  14.92 +/- 1.63   0.001% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  19.46 +/- 2.38   0.000% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.12, residual support = 214.4:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.12 214.37) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  25.02 +/- 1.97   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.24, residual support = 212.7:
      O T QD1   ILE   89 - HG13  ILE   89   2.16 +/- 0.01  89.697% * 93.4568% (0.90  10.0 10.00   5.27 214.37) =  99.211%  kept
          QG2   VAL   83 - HG13  ILE   89   3.48 +/- 0.69  10.301% *  6.4675% (1.00   1.0  1.00   1.24   0.02) =   0.789%  kept
          QD2   LEU   31 - HG13  ILE   89  13.86 +/- 1.80   0.002% *  0.0757% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.78, residual support = 214.4:
      O T QG2   ILE   89 - HG13  ILE   89   2.74 +/- 0.33  90.818% * 99.9734% (0.84  10.0 10.00   5.78 214.37) =  99.997%  kept
          QG1   VAL   83 - HG13  ILE   89   5.36 +/- 1.39   9.182% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 214.4:
      O T HB    ILE   89 - HG13  ILE   89   2.33 +/- 0.11  99.973% * 98.8208% (0.49  10.0 10.00   4.97 214.37) = 100.000%  kept
        T HB    VAL   43 - HG13  ILE   89  11.79 +/- 1.24   0.007% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG13  ILE   89  10.09 +/- 0.97   0.019% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  23.16 +/- 2.00   0.000% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  22.99 +/- 1.87   0.000% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.48, residual support = 214.4:
          HN    ILE   89 - HG13  ILE   89   3.04 +/- 0.46  99.977% * 98.7711% (0.76   5.48 214.37) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  15.42 +/- 1.95   0.020% *  0.4228% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  21.90 +/- 1.54   0.001% *  0.4459% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  22.36 +/- 1.94   0.001% *  0.0933% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  26.32 +/- 1.66   0.000% *  0.2669% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.69, residual support = 214.4:
          HN    ILE   89 - HG12  ILE   89   2.41 +/- 0.39  99.949% * 98.2042% (0.76   5.69 214.37) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.37 +/- 1.17   0.039% *  0.1038% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  16.73 +/- 1.81   0.002% *  0.4053% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.27 +/- 2.07   0.003% *  0.1734% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.56 +/- 1.23   0.006% *  0.0363% (0.08   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  22.25 +/- 1.72   0.000% *  0.4275% (0.95   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.59 +/- 1.12   0.001% *  0.1644% (0.36   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  27.57 +/- 1.47   0.000% *  0.2558% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  23.70 +/- 1.82   0.000% *  0.0894% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  27.67 +/- 1.93   0.000% *  0.1401% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 214.4:
      O T HG13  ILE   89 - QD1   ILE   89   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 214.37) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.4, residual support = 214.4:
        T QG2   ILE   89 - QD1   ILE   89   1.86 +/- 0.17  98.212% * 99.7342% (0.84 10.00   6.40 214.37) =  99.995%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.42 +/- 1.20   1.788% *  0.2658% (0.22 10.00   0.02   0.02) =   0.005%
    Distance limit 2.94 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 = 5.48, residual support = 214.4:
      O T HG12  ILE   89 - QD1   ILE   89   2.16 +/- 0.01  99.987% * 99.2664% (1.00  10.0 10.00   5.48 214.37) = 100.000%  kept
          HG3   LYS+ 111 - QD1   ILE   89  12.67 +/- 2.37   0.004% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   89  11.09 +/- 0.82   0.006% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  19.96 +/- 1.45   0.000% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  16.39 +/- 2.63   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  18.39 +/- 1.23   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  17.50 +/- 1.47   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  17.86 +/- 1.33   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 = 214.4:
      O T HB    ILE   89 - QD1   ILE   89   3.01 +/- 0.22  99.730% * 98.8208% (0.49  10.0 10.00   5.31 214.37) =  99.998%  kept
        T HB    VAL   43 - QD1   ILE   89   9.02 +/- 0.79   0.163% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD1   ILE   89   9.72 +/- 0.80   0.103% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  18.35 +/- 1.46   0.002% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  18.22 +/- 1.33   0.002% *  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 = 0.53, support = 0.0199, residual support = 0.0199:
        T HB3   MET   96 - QD1   ILE   89   9.02 +/- 1.43  85.110% * 63.9859% (0.53 10.00   0.02   0.02) =  97.615%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.39 +/- 1.20   7.615% * 10.5495% (0.87  1.00   0.02   0.02) =   1.440%  kept
          HB    VAL   18 - QD1   ILE   89  15.48 +/- 0.98   4.529% *  7.3765% (0.61  1.00   0.02   0.02) =   0.599%  kept
          HB2   LEU   40 - QD1   ILE   89  18.59 +/- 0.73   1.224% * 10.9071% (0.90  1.00   0.02   0.02) =   0.239%
          HB2   LEU   67 - QD1   ILE   89  18.81 +/- 0.93   1.192% *  4.1485% (0.34  1.00   0.02   0.02) =   0.089%
          HB3   GLU-  14 - QD1   ILE   89  23.56 +/- 1.07   0.331% *  3.0326% (0.25  1.00   0.02   0.02) =   0.018%
    Distance limit 3.50 A violated in 20 structures by 5.27 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.82, residual support = 20.4:
        T HB3   TRP   87 - QD1   ILE   89   2.45 +/- 0.44  99.959% * 99.8369% (0.76 10.00   3.82  20.45) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89  10.18 +/- 1.34   0.040% *  0.0177% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  18.61 +/- 1.96   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  23.73 +/- 1.67   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.498, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.57 +/- 0.96  58.066% * 62.4025% (0.57   0.02   0.02) =  69.681%  kept
          HB    THR  118 - QD1   ILE   89  14.49 +/- 1.88  41.934% * 37.5975% (0.34   0.02   0.02) =  30.319%  kept
    Distance limit 2.88 A violated in 20 structures by 9.42 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.02, residual support = 6.67:
          QD    PHE   45 - QD1   ILE   89   3.59 +/- 0.21  99.981% * 90.7888% (0.45   1.02   6.67) =  99.999%  kept
          HD2   HIS  122 - QD1   ILE   89  16.91 +/- 1.68   0.012% *  3.9480% (0.99   0.02   0.02) =   0.001%
          HE22  GLN  116 - QD1   ILE   89  19.79 +/- 1.97   0.005% *  3.9044% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  21.67 +/- 1.40   0.002% *  1.3587% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.924, support = 2.46, residual support = 20.4:
          HN    TRP   87 - QD1   ILE   89   4.24 +/- 0.49  79.459% * 79.0789% (0.97   2.48  20.45) =  93.972%  kept
          HE3   TRP   87 - QD1   ILE   89   5.39 +/- 0.20  20.528% * 19.6334% (0.28   2.13  20.45) =   6.028%  kept
          HN    GLN   17 - QD1   ILE   89  19.79 +/- 0.62   0.009% *  0.6617% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  22.64 +/- 0.88   0.004% *  0.6260% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.85, residual support = 214.4:
          HN    ILE   89 - QD1   ILE   89   3.61 +/- 0.39  99.920% * 98.8478% (0.76   5.85 214.37) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  13.06 +/- 1.43   0.057% *  0.3964% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  16.84 +/- 1.50   0.015% *  0.4181% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  21.63 +/- 1.05   0.002% *  0.2502% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  18.62 +/- 1.32   0.006% *  0.0875% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.01, residual support = 95.3:
          HN    GLN   90 - QG    GLN   90   2.46 +/- 0.32  99.992% * 99.2712% (0.69   6.01  95.31) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  12.55 +/- 1.90   0.008% *  0.3301% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  22.76 +/- 1.42   0.000% *  0.3987% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 5.58, residual support = 95.3:
      O   HN    GLN   90 - HB3   GLN   90   3.17 +/- 0.41  99.938% * 99.8365% (0.83  10.0   5.58  95.31) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  12.71 +/- 0.98   0.031% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  13.19 +/- 1.83   0.031% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  25.67 +/- 1.39   0.000% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.87, residual support = 54.1:
      O   HN    GLU-  79 - HB3   GLU-  79   2.84 +/- 0.47  99.640% * 98.3257% (0.16  10.0   3.87  54.09) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   9.21 +/- 0.99   0.146% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  10.05 +/- 1.07   0.089% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  10.27 +/- 1.57   0.083% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  11.75 +/- 0.46   0.028% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.71 +/- 1.33   0.010% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  18.97 +/- 2.17   0.002% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  27.03 +/- 1.50   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.25, residual support = 54.1:
      O T HA    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.24  97.660% * 97.1719% (0.57  10.0 10.00   4.25  54.09) =  99.997%  kept
          HB    THR   77 - HB2   GLN   90   6.38 +/- 2.10   1.645% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  79 - HB2   GLN   90  12.17 +/- 1.68   0.027% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.69 +/- 0.83   0.375% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   8.71 +/- 0.85   0.168% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  10.60 +/- 1.77   0.072% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.52 +/- 1.04   0.019% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.92 +/- 1.13   0.015% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.67 +/- 0.60   0.006% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  15.78 +/- 1.74   0.006% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.45 +/- 1.79   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.48 +/- 1.43   0.003% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.76 +/- 1.82   0.000% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  24.45 +/- 1.01   0.000% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.93 +/- 1.40   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.81 +/- 0.69   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  31.37 +/- 2.45   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  41.22 +/- 1.74   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.614, support = 0.541, residual support = 0.538:
          QB    ALA   88 - QG    GLN   90   3.42 +/- 0.23  94.187% * 90.5452% (0.62   0.54   0.54) =  99.678%  kept
          QG2   THR   77 - QG    GLN   90   5.92 +/- 1.07   5.772% *  4.7624% (0.88   0.02   0.02) =   0.321%
          QG2   THR   23 - QG    GLN   90  13.00 +/- 1.75   0.041% *  1.8235% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG    GLN   90  26.92 +/- 1.16   0.000% *  1.2115% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  29.98 +/- 1.45   0.000% *  1.6573% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.08 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 = 0.347, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   7.78 +/- 1.08  92.663% *  3.4351% (0.18   0.02   0.02) =  74.685%  kept
          HD3   LYS+  74 - QG    GLN   90  14.77 +/- 1.49   2.997% * 17.3194% (0.89   0.02   0.02) =  12.179%  kept
          HB3   LYS+ 111 - QG    GLN   90  16.43 +/- 1.94   2.604% * 17.3580% (0.90   0.02   0.02) =  10.606%  kept
          HB3   LYS+ 121 - QG    GLN   90  24.19 +/- 1.29   0.140% * 17.0143% (0.88   0.02   0.02) =   0.561%  kept
          HG    LEU  104 - QG    GLN   90  23.91 +/- 0.99   0.139% * 17.0143% (0.88   0.02   0.02) =   0.557%  kept
          HG2   LYS+ 106 - QG    GLN   90  18.09 +/- 1.46   0.824% *  2.6782% (0.14   0.02   0.02) =   0.518%  kept
          QD    LYS+  66 - QG    GLN   90  23.64 +/- 1.63   0.192% *  9.8273% (0.51   0.02   0.02) =   0.442%
          HG2   LYS+  33 - QG    GLN   90  25.92 +/- 1.47   0.085% *  8.4490% (0.44   0.02   0.02) =   0.169%
          HD2   LYS+ 121 - QG    GLN   90  23.85 +/- 1.19   0.159% *  3.8645% (0.20   0.02   0.02) =   0.144%
          HG2   LYS+  65 - QG    GLN   90  23.12 +/- 1.87   0.196% *  3.0399% (0.16   0.02   0.02) =   0.140%
    Distance limit 3.66 A violated in 20 structures by 4.02 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   2.77 +/- 0.29  99.507% * 96.5136% (0.73  10.0  1.00   2.96  64.04) =  99.995%  kept
        T QG    GLN   90 - HB2   MET   92   7.74 +/- 1.31   0.449% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HB2   MET   92  11.78 +/- 1.03   0.022% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  15.70 +/- 0.66   0.004% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.30 +/- 0.98   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.23 +/- 1.69   0.012% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  23.77 +/- 1.50   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  17.76 +/- 1.38   0.002% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.65 +/- 1.89   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  23.98 +/- 1.66   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.17 +/- 1.00   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 64.0:
      O   HN    MET   92 - HB2   MET   92   2.65 +/- 0.51  99.532% * 99.7272% (0.92  10.0   3.94  64.04) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   8.61 +/- 1.25   0.445% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  12.09 +/- 1.44   0.019% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  15.82 +/- 1.13   0.004% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.38 +/- 2.19   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 64.0:
      O T HA    MET   92 - HB2   MET   92   2.95 +/- 0.18  99.998% * 99.8006% (0.61  10.0 10.00   3.87  64.04) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  19.15 +/- 0.91   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  21.79 +/- 0.89   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.27, residual support = 64.0:
      O   HG3   MET   92 - HB3   MET   92   2.63 +/- 0.21  99.803% * 99.2141% (0.73  10.0   3.27  64.04) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   8.61 +/- 1.25   0.158% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.48 +/- 1.25   0.022% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.34 +/- 1.12   0.004% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.39 +/- 1.69   0.002% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.69 +/- 1.20   0.007% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.01 +/- 0.76   0.003% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.29 +/- 1.29   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.44 +/- 1.69   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.43 +/- 1.89   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.87 +/- 0.99   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.2, residual support = 64.0:
      O T HA    MET   92 - HB3   MET   92   2.65 +/- 0.18  99.999% * 99.8006% (0.61  10.0 10.00   4.20  64.04) = 100.000%  kept
          HA    VAL   41 - HB3   MET   92  18.91 +/- 1.04   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   MET   92  21.00 +/- 0.98   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 64.0:
      O T HA    MET   92 - HG2   MET   92   2.95 +/- 0.38  99.998% * 99.8006% (0.61  10.0 10.00   2.49  64.04) = 100.000%  kept
          HA    VAL   41 - HG2   MET   92  20.45 +/- 1.65   0.002% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  22.93 +/- 1.70   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.355, support = 0.02, residual support = 1.7:
          HB2   SER   37 - QG2   THR   39   3.93 +/- 1.48  88.845% * 10.7941% (0.30   0.02   2.12) =  79.875%  kept
          HA1   GLY   16 - QG2   THR   39   8.19 +/- 2.02  11.030% * 21.7367% (0.60   0.02   0.02) =  19.969%  kept
          HA    LYS+  66 - QG2   THR   39  11.45 +/- 0.89   0.100% * 16.6488% (0.46   0.02   0.02) =   0.139%
          HA1   GLY   16 - QG2   THR   23  17.84 +/- 0.74   0.006% * 12.1974% (0.33   0.02   0.02) =   0.007%
          HB2   SER   37 - QG2   THR   23  17.24 +/- 1.43   0.010% *  6.0571% (0.17   0.02   0.02) =   0.005%
          HA1   GLY   16 - QB    ALA   91  20.59 +/- 1.10   0.003% * 10.2645% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  66 - QB    ALA   91  20.42 +/- 1.27   0.003% *  7.8619% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  66 - QG2   THR   23  21.73 +/- 0.95   0.002% *  9.3424% (0.26   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  24.44 +/- 1.06   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.20 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.28, residual support = 64.0:
      O   HN    MET   92 - HB3   MET   92   3.62 +/- 0.31  99.016% * 99.8535% (0.92  10.0   4.28  64.04) =  99.999%  kept
          HN    THR   46 - HB3   MET   92   8.84 +/- 1.22   0.892% *  0.0827% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   MET   92  12.86 +/- 1.62   0.076% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  15.83 +/- 1.16   0.016% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.712, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   7.69 +/- 1.53  56.725% * 16.4223% (0.80   0.02   0.02) =  82.835%  kept
          HA    GLN   90 - HB3   MET   92   8.57 +/- 0.41  34.744% *  3.5917% (0.18   0.02   0.02) =  11.097%  kept
          HA    PHE   55 - HB3   MET   92  11.92 +/- 1.40   5.478% *  6.3300% (0.31   0.02   0.02) =   3.083%  kept
          HA    VAL   42 - HB3   MET   92  15.02 +/- 0.94   1.212% * 18.3930% (0.90   0.02   0.02) =   1.982%  kept
          HA    PRO   58 - HB3   MET   92  15.10 +/- 2.17   1.475% *  5.1139% (0.25   0.02   0.02) =   0.671%  kept
          HA    GLN   17 - HB3   MET   92  21.14 +/- 1.59   0.147% * 17.7900% (0.87   0.02   0.02) =   0.232%
          HA    LEU   40 - HB3   MET   92  21.50 +/- 1.01   0.139% *  3.1644% (0.15   0.02   0.02) =   0.039%
          HA    SER   37 - HB3   MET   92  29.76 +/- 1.04   0.019% * 17.7900% (0.87   0.02   0.02) =   0.031%
          HA    GLU-  15 - HB3   MET   92  25.41 +/- 1.41   0.048% *  5.7022% (0.28   0.02   0.02) =   0.024%
          HA    SER   13 - HB3   MET   92  31.90 +/- 1.41   0.013% *  5.7022% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.12 A violated in 19 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 64.0:
      O T HA    MET   92 - HG3   MET   92   3.03 +/- 0.70  99.970% * 99.9198% (0.99  10.0 10.00   3.97  64.04) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.02 +/- 1.37   0.029% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  22.50 +/- 1.59   0.001% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 64.0:
          HN    MET   92 - HG3   MET   92   3.99 +/- 0.50  98.911% * 99.2793% (0.92   4.04  64.04) =  99.996%  kept
          HN    THR   46 - HG3   MET   92   9.41 +/- 1.36   0.881% *  0.4066% (0.76   0.02   0.02) =   0.004%
          HN    ASP- 113 - HG3   MET   92  13.83 +/- 2.09   0.186% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  16.67 +/- 1.45   0.022% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.408, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   7.08 +/- 0.90  93.818% * 67.4545% (0.41   0.02   0.02) =  98.821%  kept
          HN    LYS+  65 - HB2   PRO   93  14.15 +/- 1.18   2.214% * 25.3164% (0.15   0.02   0.02) =   0.875%  kept
          QD    PHE   45 - HG3   GLN   30  13.42 +/- 1.20   3.546% *  5.2564% (0.03   0.02   0.02) =   0.291%
          HN    LYS+  65 - HG3   GLN   30  17.69 +/- 1.15   0.422% *  1.9728% (0.01   0.02   0.02) =   0.013%
    Distance limit 4.23 A violated in 20 structures by 2.82 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.99 +/- 0.17  99.845% * 99.8806% (1.00  10.0   4.40  15.60) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  14.04 +/- 2.15   0.102% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  17.09 +/- 0.93   0.018% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  17.05 +/- 1.35   0.019% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.07 +/- 0.93   0.012% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  21.45 +/- 2.10   0.005% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.406, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.53 +/- 0.60  95.208% * 72.7108% (0.41   0.02   0.02) =  98.146%  kept
          HN    LYS+  65 - HG2   PRO   93  15.57 +/- 1.82   4.792% * 27.2892% (0.15   0.02   0.02) =   1.854%  kept
    Distance limit 4.07 A violated in 20 structures by 4.39 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   2.43 +/- 0.22  99.851% * 98.6893% (0.84  10.0  1.00   5.30 132.33) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.52 +/- 1.88   0.072% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   9.33 +/- 1.92   0.070% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  13.50 +/- 1.73   0.006% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  22.70 +/- 1.80   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.43 +/- 1.49   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.28 +/- 1.36   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.84 +/- 2.31   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  37.15 +/- 2.36   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  98.622% * 96.9677% (0.99  10.0 10.00   3.97 132.33) =  99.999%  kept
          HB3   PRO   52 - HG3   PRO   93   5.30 +/- 2.58   1.377% *  0.0367% (0.38   1.0  1.00   0.02   0.46) =   0.001%
        T QB    LYS+  65 - HG3   PRO   93  15.40 +/- 1.56   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  18.85 +/- 1.25   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  18.14 +/- 1.90   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.71 +/- 1.17   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.52 +/- 1.61   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.03 +/- 1.40   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.05 +/- 2.01   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  21.04 +/- 2.22   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  98.702% * 97.0769% (0.95  10.0 10.00   3.97 132.33) =  99.990%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.45 +/- 3.00   0.966% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HB3   MET   92 - HG2   PRO   93   4.83 +/- 0.72   0.330% *  0.0947% (0.92   1.0  1.00   0.02   1.54) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.02 +/- 0.97   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.37 +/- 1.83   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.51 +/- 1.05   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.16 +/- 1.54   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.31 +/- 1.47   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.81 +/- 0.89   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.02 +/- 1.43   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  15.57 +/- 1.51   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.50 +/- 1.18   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   2.63 +/- 0.30  80.863% * 99.5358% (0.97  10.0   3.97 132.33) =  99.979%  kept
          HB3   CYS   53 - HG3   PRO   93   5.94 +/- 3.04  17.909% *  0.0861% (0.84   1.0   0.02   0.02) =   0.019%
          QB    PHE   55 - HG3   PRO   93   6.12 +/- 1.68   1.071% *  0.1029% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   93   8.31 +/- 1.23   0.143% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  11.29 +/- 1.86   0.014% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  20.67 +/- 2.05   0.001% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.56 +/- 0.29  99.989% * 99.4436% (0.25  10.0   3.97 132.33) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  12.52 +/- 1.60   0.010% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  18.45 +/- 1.43   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.24 +/- 1.27   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  15.77 +/- 1.69 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.11 A violated in 20 structures by 11.66 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.706, support = 1.93, residual support = 4.89:
          HN    ALA  110 - HD2   PRO   93   5.09 +/- 2.41  81.864% * 77.5782% (0.71   2.00   5.17) =  94.626%  kept
          HN    PHE   45 - HD2   PRO   93   7.69 +/- 0.53  16.264% * 22.1611% (0.61   0.67   0.02) =   5.370%  kept
          HN    ASP-  44 - HD2   PRO   93  11.78 +/- 0.75   1.801% *  0.1221% (0.11   0.02   0.02) =   0.003%
          HN    GLU-  25 - HD2   PRO   93  20.27 +/- 1.12   0.072% *  0.1386% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 8 structures by 0.97 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.373, support = 0.0198, residual support = 0.0198:
          HA1   GLY  109 - HD2   PRO   93   6.86 +/- 2.56  59.713% * 14.0670% (0.38   0.02   0.02) =  61.228%  kept
          HA    CYS   50 - HD2   PRO   93   8.04 +/- 1.89  36.765% * 13.0143% (0.35   0.02   0.02) =  34.877%  kept
          HA    TRP   49 - HD2   PRO   93  12.06 +/- 2.19   2.297% * 18.3659% (0.50   0.02   0.02) =   3.075%  kept
          HA    CYS   21 - HD2   PRO   93  20.36 +/- 1.48   0.225% * 23.1925% (0.63   0.02   0.02) =   0.381%
          HA    ALA   20 - HD2   PRO   93  17.77 +/- 1.82   0.938% *  4.6825% (0.13   0.02   0.02) =   0.320%
          HA    LYS+ 102 - HD2   PRO   93  22.26 +/- 0.78   0.061% * 26.6778% (0.72   0.02   0.02) =   0.118%
    Distance limit 4.13 A violated in 15 structures by 1.69 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.686, support = 2.0, residual support = 5.16:
          QB    ALA  110 - HD2   PRO   93   4.59 +/- 2.23  85.478% * 92.9394% (0.69   2.00   5.17) =  99.915%  kept
          QB    ALA   61 - HD2   PRO   93  12.26 +/- 1.70   4.878% *  0.9803% (0.72   0.02   0.02) =   0.060%
          HB3   LEU  115 - HD2   PRO   93   9.27 +/- 2.03   8.698% *  0.1721% (0.13   0.02   0.02) =   0.019%
          HB3   LYS+  74 - HD2   PRO   93  15.06 +/- 1.55   0.395% *  0.3032% (0.22   0.02   0.02) =   0.002%
          QG    LYS+  66 - HD2   PRO   93  17.86 +/- 1.74   0.085% *  0.7867% (0.58   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD2   PRO   93  15.71 +/- 2.12   0.136% *  0.4782% (0.35   0.02   0.02) =   0.001%
          HG    LEU   73 - HD2   PRO   93  16.97 +/- 1.20   0.104% *  0.5959% (0.44   0.02   0.02) =   0.001%
          HG    LEU   80 - HD2   PRO   93  17.84 +/- 2.02   0.055% *  0.9482% (0.70   0.02   0.02) =   0.001%
          HB3   LEU   67 - HD2   PRO   93  20.18 +/- 1.45   0.039% *  0.9294% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.63 +/- 1.91   0.031% *  0.8811% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  18.01 +/- 1.94   0.056% *  0.3351% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.37 +/- 1.26   0.013% *  0.4782% (0.35   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.63 +/- 1.09   0.032% *  0.1721% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 6 structures by 1.17 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.591, support = 1.43, residual support = 7.95:
          QB    ALA  110 - HD3   PRO   93   4.78 +/- 2.16  48.214% * 57.1168% (0.78   0.75   5.17) =  73.326%  kept
          HB3   LEU   67 - HD3   PRO   68   4.32 +/- 0.49  37.031% * 26.0066% (0.08   3.42  16.22) =  25.643%  kept
          QG    LYS+  66 - HD3   PRO   68   5.60 +/- 0.92  12.865% *  2.8677% (0.05   0.59   0.02) =   0.982%  kept
          QB    ALA   61 - HD3   PRO   93  11.77 +/- 1.91   1.421% *  1.1359% (0.58   0.02   0.02) =   0.043%
          HB3   LYS+  74 - HD3   PRO   93  14.84 +/- 1.23   0.031% *  1.4060% (0.72   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.33 +/- 0.80   0.161% *  0.2022% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  15.72 +/- 2.00   0.016% *  1.6610% (0.85   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   68  13.44 +/- 2.95   0.084% *  0.2610% (0.13   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD3   PRO   68  13.64 +/- 1.41   0.036% *  0.2885% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   93  17.88 +/- 1.87   0.007% *  1.4666% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  18.43 +/- 1.60   0.006% *  1.4666% (0.75   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.12 +/- 0.87   0.009% *  0.9238% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.02 +/- 1.10   0.030% *  0.1644% (0.08   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.66 +/- 1.72   0.008% *  0.5420% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.54 +/- 1.72   0.003% *  1.6209% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.12 +/- 1.56   0.005% *  0.8547% (0.44   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.08 +/- 1.14   0.010% *  0.3075% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.79 +/- 1.04   0.009% *  0.2502% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.51 +/- 1.94   0.022% *  0.0869% (0.04   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.33 +/- 0.95   0.027% *  0.0547% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.42 +/- 1.49   0.005% *  0.2711% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  28.30 +/- 1.64   0.000% *  0.4882% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  26.40 +/- 2.44   0.001% *  0.2956% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  27.10 +/- 3.12   0.001% *  0.2610% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 0.02, residual support = 1.36:
          QG2   ILE   89 - HB    THR   94   5.83 +/- 1.48 100.000% *100.0000% (0.28   0.02   1.36) = 100.000%  kept
    Distance limit 3.26 A violated in 17 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.767, support = 0.746, residual support = 1.35:
          QD1   ILE   89 - HB    THR   94   5.94 +/- 1.45  78.230% * 97.3666% (0.77   0.75   1.36) =  99.490%  kept
          QG2   VAL   83 - HB    THR   94   7.83 +/- 2.15  19.350% *  1.9321% (0.57   0.02   0.02) =   0.488%
          QD2   LEU   31 - HB    THR   94  11.74 +/- 0.94   2.419% *  0.7014% (0.21   0.02   0.02) =   0.022%
    Distance limit 3.60 A violated in 15 structures by 2.34 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   2.99 +/- 0.86  99.882% * 99.8423% (0.81 10.00   2.96  27.19) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  11.39 +/- 1.18   0.097% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  13.61 +/- 1.44   0.021% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 2 structures by 0.18 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  12.28 +/- 1.31 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 9.36 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   2.62 +/- 0.18  99.980% * 99.8964% (0.83  10.0   3.08  25.31) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  12.51 +/- 1.49   0.013% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  14.02 +/- 2.05   0.007% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.3, residual support = 27.2:
          HN    PHE   45 - HB    THR   94   3.70 +/- 0.85  96.378% * 99.4994% (0.81   3.30  27.19) =  99.981%  kept
          HN    ALA  110 - HB    THR   94   8.13 +/- 1.74   3.622% *  0.5006% (0.67   0.02   0.02) =   0.019%
    Distance limit 4.14 A violated in 0 structures by 0.13 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   5.33 +/- 1.02 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 20 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.2, residual support = 14.4:
          HN    PHE   95 - QG2   THR   94   2.66 +/- 0.42 100.000% *100.0000% (0.97   4.20  14.40) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.579, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.18 +/- 0.30  24.699% * 27.7167% (0.84   0.02   0.02) =  49.143%  kept
          HA    PHE   59 - HA    PHE   95  10.24 +/- 1.35  67.653% *  8.2742% (0.25   0.02   0.02) =  40.184%  kept
          HA    TRP   87 - HA    PHE   95  16.87 +/- 1.59   4.014% * 25.3593% (0.76   0.02   0.02) =   7.307%  kept
          HA    ASP-  86 - HA    PHE   95  18.51 +/- 2.36   2.675% * 12.4539% (0.38   0.02   0.02) =   2.392%  kept
          HA    GLU-  14 - HA    PHE   95  21.75 +/- 0.81   0.766% * 14.8769% (0.45   0.02   0.02) =   0.818%  kept
          HA    ALA   12 - HA    PHE   95  27.36 +/- 1.19   0.193% * 11.3190% (0.34   0.02   0.02) =   0.157%
    Distance limit 3.45 A violated in 20 structures by 6.02 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.43 +/- 0.39  99.985% * 99.8140% (0.87   3.44  73.49) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  11.12 +/- 0.78   0.015% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.22 +/- 0.04  99.992% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  10.98 +/- 0.80   0.008% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.49) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.34 +/- 0.07  99.995% * 99.9680% (0.87  10.0   3.00  73.49) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.37 +/- 0.84   0.005% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.62 +/- 0.14  99.988% * 99.9680% (0.87  10.0   3.31  73.49) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.39 +/- 1.17   0.012% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.49 +/- 0.31 100.000% *100.0000% (0.53  10.0   4.19  73.49) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.45 +/- 0.20 100.000% *100.0000% (0.53  10.0   3.86  73.49) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 45.8:
          QG2   VAL  107 - HB3   PHE   95   4.32 +/- 0.46  92.473% * 95.9735% (0.84   1.73  45.81) =  99.949%  kept
          HG13  ILE  119 - HB3   PHE   95   7.90 +/- 1.45   5.478% *  0.5447% (0.41   0.02   0.02) =   0.034%
          HG2   LYS+ 121 - HB3   PHE   95  11.22 +/- 1.62   0.577% *  1.2988% (0.98   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB3   PHE   95   9.30 +/- 0.72   1.303% *  0.4973% (0.38   0.02   0.02) =   0.007%
          QB    ALA   20 - HB3   PHE   95  13.83 +/- 0.94   0.112% *  1.1883% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   PHE   95  15.65 +/- 1.35   0.058% *  0.4973% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 3 structures by 0.50 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.592, support = 1.5, residual support = 4.18:
          QD1   LEU   63 - HB3   PHE   95   4.08 +/- 1.35  83.641% * 60.1434% (0.57   1.58   4.15) =  91.941%  kept
          QD2   LEU  115 - HB3   PHE   95   6.84 +/- 1.02  12.373% * 35.3263% (0.90   0.59   4.59) =   7.989%  kept
          QD1   LEU  104 - HB3   PHE   95   9.46 +/- 1.03   1.515% *  1.3444% (1.00   0.02   0.02) =   0.037%
          QD1   LEU   73 - HB3   PHE   95   9.68 +/- 0.88   1.415% *  0.7611% (0.57   0.02   0.02) =   0.020%
          QD2   LEU   80 - HB3   PHE   95  15.02 +/- 3.85   0.322% *  1.2411% (0.92   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB3   PHE   95  13.68 +/- 2.34   0.210% *  0.9762% (0.73   0.02   0.02) =   0.004%
          QG2   ILE   89 - HB3   PHE   95  11.06 +/- 1.17   0.525% *  0.2074% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 5 structures by 0.53 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.747, residual support = 1.48:
          QG1   VAL   42 - HB3   PHE   95   3.57 +/- 0.71  98.303% * 77.7257% (0.65   0.75   1.48) =  99.666%  kept
          QB    ALA   64 - HB3   PHE   95   8.63 +/- 0.96   1.318% * 18.8368% (0.53   0.22   0.02) =   0.324%
          QB    ALA   47 - HB3   PHE   95  11.38 +/- 1.07   0.290% *  2.4486% (0.76   0.02   0.02) =   0.009%
          HG2   LYS+ 112 - HB3   PHE   95  12.80 +/- 1.00   0.090% *  0.9889% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 2 structures by 0.25 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.8:
          QG2   VAL  107 - HB2   PHE   95   3.19 +/- 0.40  98.981% * 94.2644% (0.34   3.59  45.81) =  99.986%  kept
          HG13  ILE  119 - HB2   PHE   95   8.04 +/- 1.23   0.839% *  1.3792% (0.90   0.02   0.02) =   0.012%
          HG2   LYS+ 121 - HB2   PHE   95  11.20 +/- 1.62   0.096% *  0.8707% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   PHE   95  14.85 +/- 0.81   0.013% *  1.4197% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  12.76 +/- 1.08   0.039% *  0.4276% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.58 +/- 1.19   0.007% *  1.3340% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  13.40 +/- 1.70   0.025% *  0.3044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.8:
        T HB    VAL  107 - HB2   PHE   95   2.22 +/- 0.60  99.811% * 99.6841% (0.80 10.00   4.31  45.81) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.58 +/- 0.86   0.117% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  11.54 +/- 1.60   0.067% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.27 +/- 1.45   0.002% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.01 +/- 1.39   0.001% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.84 +/- 0.74   0.002% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 0.746, residual support = 1.35:
          QD1   ILE   89 - QG2   THR   94   5.30 +/- 1.78  75.510% * 97.3666% (0.92   0.75   1.36) =  99.441%  kept
          QG2   VAL   83 - QG2   THR   94   6.95 +/- 2.48  19.627% *  1.9321% (0.69   0.02   0.02) =   0.513%  kept
          QD2   LEU   31 - QG2   THR   94   9.52 +/- 0.89   4.863% *  0.7014% (0.25   0.02   0.02) =   0.046%
    Distance limit 3.05 A violated in 11 structures by 2.04 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.06, residual support = 2.12:
        T HA    LYS+ 106 - HA    MET   96   3.15 +/- 0.50 100.000% *100.0000% (0.97 10.00   1.06   2.12) = 100.000%  kept
    Distance limit 3.27 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 46.1:
      O   HN    PHE   97 - HA    MET   96   2.28 +/- 0.11  99.991% * 99.8692% (0.88  10.0   6.07  46.05) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.68 +/- 1.04   0.007% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.11 +/- 1.11   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.6:
      O   HN    MET   96 - HA    MET   96   2.92 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.55) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 1.89, residual support = 8.88:
        T QE    PHE   45 - HB2   MET   96   5.32 +/- 1.64  86.775% * 98.2195% (0.49 10.00   1.89   8.89) =  99.926%  kept
        T HZ    PHE   72 - HB2   MET   96  11.49 +/- 1.81   2.925% *  1.6337% (0.76 10.00   0.02   0.02) =   0.056%
          QD    PHE   72 - HB2   MET   96   8.92 +/- 1.15  10.300% *  0.1468% (0.69  1.00   0.02   0.02) =   0.018%
    Distance limit 3.73 A violated in 12 structures by 1.68 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 46.1:
          HN    PHE   97 - HB2   MET   96   3.85 +/- 0.32  99.896% * 99.4519% (0.92   6.07  46.05) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.12 +/- 0.92   0.045% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.73 +/- 1.14   0.059% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  28.06 +/- 1.63   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.07, residual support = 115.6:
      O   HN    MET   96 - HB2   MET   96   2.90 +/- 0.29 100.000% *100.0000% (0.65  10.0   4.07 115.55) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.627, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.05 +/- 1.99  19.998% * 81.6578% (0.99   0.02   0.02) =  52.670%  kept
          QD    PHE   72 - HB3   MET   96   9.39 +/- 1.44  80.002% * 18.3422% (0.22   0.02   0.02) =  47.330%  kept
    Distance limit 3.59 A violated in 20 structures by 5.45 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.6:
      O   HN    MET   96 - HB3   MET   96   2.57 +/- 0.21 100.000% *100.0000% (0.65  10.0   3.97 115.55) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   2.83 +/- 0.50  98.931% * 94.5898% (0.73   2.00  16.41) =  99.991%  kept
          QG1   VAL   41 - HB2   MET   96   6.99 +/- 0.84   0.698% *  0.6853% (0.53   0.02   0.02) =   0.005%
          QD2   LEU  104 - HB2   MET   96   8.58 +/- 1.01   0.264% *  1.0431% (0.80   0.02   0.02) =   0.003%
          QG2   THR   46 - HB2   MET   96  11.25 +/- 0.83   0.043% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  10.85 +/- 0.66   0.045% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.50 +/- 0.86   0.019% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.899, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   7.15 +/- 0.83  69.738% * 36.4416% (0.92   0.02   0.02) =  72.146%  kept
          QG2   VAL   83 - HB2   MET   96   9.90 +/- 2.29  17.217% * 36.4416% (0.92   0.02   0.02) =  17.811%  kept
          QD1   ILE   89 - HB2   MET   96   9.97 +/- 1.37  13.045% * 27.1168% (0.69   0.02   0.02) =  10.043%  kept
    Distance limit 3.84 A violated in 20 structures by 2.84 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.672, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   9.02 +/- 1.43  50.509% * 94.3530% (0.69 10.00   0.02   0.02) =  94.460%  kept
          QG2   VAL   83 - HB3   MET   96   9.27 +/- 2.43  49.491% *  5.6470% (0.41  1.00   0.02   0.02) =   5.540%  kept
    Distance limit 3.83 A violated in 20 structures by 4.16 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.1:
          HN    PHE   97 - HG2   MET   96   3.36 +/- 0.70  99.820% * 99.1286% (0.92   5.60  46.05) = 100.000%  kept
          HN    LEU  115 - HG2   MET   96  14.14 +/- 1.68   0.035% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    LEU  115 - HB2   PRO   52  11.61 +/- 1.32   0.107% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.37 +/- 1.48   0.031% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.79 +/- 1.58   0.006% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  29.70 +/- 1.76   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  38.32 +/- 1.93   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.76 +/- 1.86   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.04, residual support = 46.1:
          HN    PHE   97 - HG3   MET   96   3.22 +/- 0.68  99.949% * 99.5684% (0.54   6.04  46.05) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  13.81 +/- 1.14   0.040% *  0.3294% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.09 +/- 1.35   0.011% *  0.1021% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.428, support = 2.2, residual support = 6.79:
          HG13  ILE  103 - HG2   MET   96   3.70 +/- 0.60  83.602% * 34.5816% (0.25   2.54   8.25) =  75.950%  kept
          QG2   THR   94 - HG2   MET   96   5.54 +/- 0.86  14.985% * 61.0680% (0.99   1.13   2.17) =  24.040%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.57 +/- 1.77   0.495% *  0.2778% (0.25   0.02   0.02) =   0.004%
          QG2   THR   94 - HB2   PRO   52  10.52 +/- 1.40   0.267% *  0.3174% (0.29   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HB2   PRO   52  10.20 +/- 1.24   0.227% *  0.3139% (0.29   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  13.09 +/- 1.68   0.070% *  0.8730% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HB2   PRO   52  10.58 +/- 1.66   0.291% *  0.0494% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  14.83 +/- 3.07   0.049% *  0.1682% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  18.96 +/- 1.38   0.005% *  1.0686% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.49 +/- 1.87   0.005% *  0.9457% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  25.03 +/- 2.77   0.002% *  0.2564% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.32 +/- 1.50   0.003% *  0.0799% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.684, support = 2.45, residual support = 8.16:
          QD1   ILE  103 - HG2   MET   96   3.36 +/- 0.61  81.831% * 20.0975% (0.49   2.02   8.25) =  61.318%  kept
          QG2   ILE  103 - HG2   MET   96   4.58 +/- 0.64  15.354% * 65.6232% (1.00   3.21   8.25) =  37.567%  kept
          QD2   LEU   40 - HG2   MET   96   7.00 +/- 0.82   2.432% * 12.2653% (0.95   0.63   0.02) =   1.112%  kept
          QD1   LEU   67 - HG2   MET   96  12.02 +/- 1.51   0.060% *  0.3955% (0.97   0.02   0.02) =   0.001%
          HB    VAL   75 - HG2   MET   96  10.54 +/- 1.18   0.145% *  0.1538% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.62 +/- 1.55   0.050% *  0.2486% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  15.29 +/- 0.87   0.013% *  0.4062% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.37 +/- 1.24   0.033% *  0.1265% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  16.56 +/- 2.33   0.015% *  0.1193% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  16.19 +/- 2.81   0.026% *  0.0452% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.82 +/- 1.27   0.019% *  0.0372% (0.09   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  17.87 +/- 1.50   0.005% *  0.1201% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.41 +/- 1.48   0.005% *  0.1162% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.19 +/- 1.43   0.004% *  0.1139% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  17.93 +/- 1.61   0.005% *  0.0586% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.50 +/- 1.91   0.002% *  0.0730% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.236, support = 0.447, residual support = 0.551:
          HG    LEU   98 - HG3   MET   96   5.04 +/- 1.25  40.927% * 10.4133% (0.25   0.24   0.41) =  47.618%  kept
          QB    LEU   98 - HG3   MET   96   5.55 +/- 0.83  20.384% * 18.4030% (0.14   0.77   0.41) =  41.915%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.06 +/- 1.20  36.258% *  2.1312% (0.61   0.02   2.12) =   8.634%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.37 +/- 1.28   0.237% * 54.9268% (0.59   0.53   0.14) =   1.453%  kept
          HB    VAL   42 - HG3   MET   96   8.68 +/- 0.56   1.077% *  1.9156% (0.54   0.02   0.02) =   0.231%
          HB3   LEU   73 - HG3   MET   96  10.53 +/- 1.32   0.410% *  2.0206% (0.57   0.02   0.02) =   0.093%
          HB3   ASP-  44 - HG3   MET   96  10.40 +/- 1.07   0.448% *  0.4227% (0.12   0.02   0.02) =   0.021%
          HB3   PRO   93 - HG3   MET   96  12.56 +/- 1.03   0.144% *  1.2093% (0.34   0.02   0.02) =   0.019%
          QB    ALA   84 - HG3   MET   96  14.96 +/- 1.71   0.048% *  1.1238% (0.32   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HG3   MET   96  17.05 +/- 1.33   0.018% *  1.7841% (0.51   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HG3   MET   96  18.64 +/- 1.05   0.012% *  2.1171% (0.60   0.02   0.02) =   0.003%
          QB    ALA  124 - HG3   MET   96  16.54 +/- 1.60   0.027% *  0.6593% (0.19   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HG3   MET   96  19.77 +/- 1.06   0.008% *  1.9156% (0.54   0.02   0.02) =   0.002%
          QB    ALA   12 - HG3   MET   96  24.24 +/- 1.15   0.002% *  0.9576% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 3 structures by 0.26 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 = 0.268, support = 2.06, residual support = 6.67:
          HG13  ILE  103 - HG3   MET   96   3.53 +/- 0.51  84.100% * 31.0169% (0.15  1.00   2.39   8.25) =  74.020%  kept
          QG2   THR   94 - HG3   MET   96   5.21 +/- 0.82  15.798% * 57.9477% (0.60  1.00   1.12   2.17) =  25.978%  kept
          HB3   LEU   71 - HG3   MET   96  13.48 +/- 1.63   0.047% *  0.8329% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  19.20 +/- 1.32   0.004% *  9.0225% (0.53 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HG3   MET   96  14.40 +/- 2.81   0.047% *  0.1605% (0.09  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG3   MET   96  18.68 +/- 0.99   0.005% *  1.0195% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.413, support = 2.28, residual support = 8.25:
          QD1   ILE  103 - HG3   MET   96   3.10 +/- 0.61  83.394% * 22.7335% (0.30   1.85   8.25) =  61.845%  kept
          QG2   ILE  103 - HG3   MET   96   4.26 +/- 0.49  15.559% * 75.1441% (0.61   2.98   8.25) =  38.140%  kept
          QD2   LEU   40 - HG3   MET   96   7.18 +/- 0.57   0.882% *  0.4789% (0.57   0.02   0.02) =   0.014%
          QD1   LEU   67 - HG3   MET   96  12.20 +/- 1.69   0.041% *  0.4885% (0.59   0.02   0.02) =   0.001%
          HB    VAL   75 - HG3   MET   96  10.65 +/- 0.94   0.069% *  0.1900% (0.23   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG3   MET   96  12.95 +/- 1.57   0.027% *  0.3070% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  15.44 +/- 0.78   0.007% *  0.5018% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.30 +/- 1.10   0.021% *  0.1562% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.41, residual support = 10.8:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.03 100.000% *100.0000% (0.80  10.0   3.41  10.84) = 100.000%  kept
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.74, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.987% * 99.8692% (0.90  10.0   4.74  62.64) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.69 +/- 1.04   0.011% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.29 +/- 1.12   0.003% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.50 +/- 0.18  99.999% * 99.9164% (0.45  10.0 10.00   2.44  62.64) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  19.96 +/- 3.25   0.001% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.57, residual support = 56.9:
          HN    ASP- 105 - HB2   PHE   97   2.22 +/- 0.49 100.000% * 99.8952% (0.95   7.57  56.87) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  22.65 +/- 2.01   0.000% *  0.1048% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.84, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.54 +/- 0.35  99.988% * 99.8692% (0.90  10.0   4.84  62.64) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.41 +/- 1.24   0.010% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.90 +/- 1.39   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.966, support = 3.42, residual support = 51.1:
        T HB3   ASP- 105 - HB2   PHE   97   3.97 +/- 0.91  64.502% * 65.9936% (0.99 10.00   3.73  56.87) =  87.629%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.10 +/- 0.74  18.611% * 31.7093% (0.80 10.00   1.19   9.99) =  12.149%  kept
          HB    ILE  103 - HB2   PHE   97   6.46 +/- 1.00   5.660% *  1.8763% (1.00  1.00   0.56   1.64) =   0.219%
          HG12  ILE  103 - HB2   PHE   97   5.91 +/- 0.98  10.795% *  0.0132% (0.20  1.00   0.02   1.64) =   0.003%
          HG3   PRO   68 - HB2   PHE   97  15.13 +/- 3.36   0.270% *  0.0664% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.13 +/- 2.42   0.068% *  0.0274% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.41 +/- 0.80   0.017% *  0.0630% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.68 +/- 1.56   0.032% *  0.0250% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.17 +/- 1.33   0.034% *  0.0166% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  18.78 +/- 1.56   0.006% *  0.0274% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.95 +/- 1.58   0.002% *  0.0664% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.58 +/- 0.75   0.002% *  0.0597% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  23.54 +/- 2.12   0.002% *  0.0556% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 2 structures by 0.22 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.306, support = 4.51, residual support = 15.9:
        T HB2   LEU  104 - HB2   PHE   97   3.34 +/- 0.64  53.605% * 81.3987% (0.31 10.00   4.68  17.29) =  91.101%  kept
          QG2   ILE  103 - HB2   PHE   97   3.79 +/- 0.81  28.505% * 10.7736% (0.25  1.00   3.28   1.64) =   6.412%  kept
          QD2   LEU   40 - HB2   PHE   97   4.41 +/- 0.92  16.455% *  7.2299% (0.38  1.00   1.46   1.46) =   2.484%  kept
          QD1   LEU   67 - HB2   PHE   97   9.45 +/- 2.43   0.876% *  0.0900% (0.34  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HB2   PHE   97   9.66 +/- 1.88   0.241% *  0.1600% (0.61  1.00   0.02   0.45) =   0.001%
          QG2   VAL  108 - HB2   PHE   97   8.23 +/- 0.54   0.299% *  0.0522% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.95 +/- 1.23   0.015% *  0.2495% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.92 +/- 1.20   0.004% *  0.0462% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.334, support = 1.73, residual support = 5.82:
        T QD2   LEU   40 - HB3   PHE   97   3.47 +/- 1.28  31.519% * 74.5400% (0.36 10.00   1.13   1.46) =  69.281%  kept
          HB2   LEU  104 - HB3   PHE   97   2.95 +/- 0.82  52.308% * 17.8604% (0.29  1.00   3.28  17.29) =  27.549%  kept
          QG2   ILE  103 - HB3   PHE   97   4.36 +/- 1.09  15.804% *  6.7999% (0.24  1.00   1.55   1.64) =   3.169%  kept
          QD1   LEU   67 - HB3   PHE   97   8.93 +/- 2.49   0.184% *  0.1203% (0.32  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   PHE   97   9.91 +/- 1.97   0.061% *  0.2140% (0.57  1.00   0.02   0.45) =   0.000%
          QG2   VAL  108 - HB3   PHE   97   9.12 +/- 0.95   0.120% *  0.0698% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  14.24 +/- 1.12   0.003% *  0.3337% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.97 +/- 1.32   0.001% *  0.0618% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 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   2.43 +/- 0.15  99.999% * 99.8821% (0.87  10.0 10.00   2.74  62.64) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  20.69 +/- 3.38   0.001% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  25.03 +/- 2.06   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.42, residual support = 56.9:
          HN    ASP- 105 - HB3   PHE   97   2.88 +/- 0.73  99.997% * 99.0672% (0.46   5.42  56.87) = 100.000%  kept
          HN    PHE   55 - HB3   PHE   97  20.07 +/- 1.18   0.002% *  0.2817% (0.36   0.02   0.02) =   0.000%
          HN    ALA   88 - HB3   PHE   97  23.42 +/- 2.06   0.001% *  0.6511% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.2, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.33 +/- 0.38  99.963% * 99.8692% (0.85  10.0   5.20  62.64) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.23 +/- 0.96   0.029% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.72 +/- 1.14   0.007% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 2.08, residual support = 51.5:
          HB3   ASP- 105 - HB3   PHE   97   4.54 +/- 0.95  67.541% * 61.0707% (0.72  1.00   2.26  56.87) =  89.323%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.03 +/- 1.34  16.125% * 19.3748% (0.93  1.00   0.56   9.99) =   6.765%  kept
          HB    ILE  103 - HB3   PHE   97   6.80 +/- 1.27  13.477% * 13.3050% (0.65  1.00   0.55   1.64) =   3.883%  kept
          HG3   PRO   68 - HB3   PHE   97  14.32 +/- 3.62   2.307% *  0.4568% (0.61  1.00   0.02   0.02) =   0.023%
          HB3   LYS+  38 - HB3   PHE   97  13.10 +/- 1.22   0.194% *  0.5128% (0.69  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HB3   PHE   97  14.11 +/- 1.31   0.159% *  0.3715% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB3   PHE   97  14.72 +/- 0.87   0.076% *  0.6125% (0.82  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB3   PHE   97  15.36 +/- 1.41   0.062% *  0.6125% (0.82  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB3   PHE   97  18.80 +/- 1.49   0.017% *  1.5722% (0.21 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB3   PHE   97  17.23 +/- 0.72   0.026% *  0.2650% (0.36  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  23.94 +/- 2.09   0.005% *  0.6815% (0.91  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  23.39 +/- 0.76   0.004% *  0.6519% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.51 +/- 1.43   0.005% *  0.5128% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 3 structures by 0.34 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.299, support = 4.18, residual support = 25.6:
          HG12  ILE  103 - HA    LEU   98   3.66 +/- 0.34  77.282% * 51.0887% (0.25   4.59  27.12) =  88.721%  kept
          QB    LYS+ 102 - HA    LEU   98   5.09 +/- 0.40  12.839% * 20.1933% (0.98   0.46   2.59) =   5.826%  kept
          HB    VAL   41 - HA    LEU   98   5.89 +/- 1.16   9.645% * 25.1403% (0.38   1.50  26.28) =   5.449%  kept
          HB2   LEU   71 - HA    LEU   98  10.26 +/- 1.03   0.198% *  0.8912% (1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HA    LEU   98  14.98 +/- 1.73   0.022% *  0.5057% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.48 +/- 0.94   0.007% *  0.8931% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.60 +/- 0.81   0.005% *  0.7460% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  19.55 +/- 1.04   0.004% *  0.5417% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 27.1:
          HA    ILE  103 - HA    LEU   98   2.41 +/- 0.38  99.355% * 94.1073% (0.73   2.96  27.12) =  99.998%  kept
          HA    LEU  104 - HA    LEU   98   5.70 +/- 0.68   0.599% *  0.2437% (0.28   0.02   6.58) =   0.002%
          HA    THR   39 - HA    LEU   98   9.86 +/- 0.57   0.034% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    LEU   98  12.03 +/- 0.86   0.010% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.53 +/- 1.17   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  22.61 +/- 3.29   0.000% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.13 +/- 1.15   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  24.87 +/- 2.51   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.51 +/- 1.57   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  23.74 +/- 1.33   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.55 +/- 2.03   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.61 +/- 0.94   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 3.29, residual support = 3.78:
          HN    ASP- 105 - HA    LEU   98   5.23 +/- 0.60  99.980% * 99.7591% (0.95   3.29   3.78) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  23.29 +/- 2.33   0.020% *  0.2409% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 14 structures by 1.37 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.35, residual support = 18.4:
      O   HN    LYS+  99 - HA    LEU   98   2.20 +/- 0.04  99.902% * 99.7964% (0.80  10.0   4.35  18.35) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  11.51 +/- 4.32   0.090% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  10.76 +/- 0.89   0.008% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.04 +/- 1.27   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.91, residual support = 6.58:
          HN    LEU  104 - HA    LEU   98   3.34 +/- 0.66  99.916% * 99.5498% (0.92   2.91   6.58) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.20 +/- 0.79   0.084% *  0.4502% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.27 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.14, residual support = 80.5:
      O   HN    LEU   98 - HA    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.14  80.46) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.439, support = 3.04, residual support = 26.3:
        T HB    VAL   41 - QB    LEU   98   3.31 +/- 1.25  60.604% * 73.1150% (0.42 10.00   2.96  26.28) =  86.993%  kept
          HG12  ILE  103 - QB    LEU   98   3.82 +/- 0.96  36.060% * 17.9363% (0.56  1.00   3.69  27.12) =  12.698%  kept
          HB    ILE  103 - QB    LEU   98   5.71 +/- 0.95   2.172% *  7.0278% (0.60  1.00   1.36  27.12) =   0.300%
        T QB    LYS+ 106 - QB    LEU   98   7.43 +/- 0.88   0.765% *  0.4636% (0.27 10.00   0.02   0.02) =   0.007%
        T QB    LYS+  33 - QB    LEU   98   9.51 +/- 0.63   0.128% *  0.7311% (0.42 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QB    LEU   98   8.81 +/- 0.71   0.214% *  0.0911% (0.53  1.00   0.02   3.78) =   0.000%
          HG    LEU  123 - QB    LEU   98  15.79 +/- 2.62   0.017% *  0.1347% (0.78  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  14.76 +/- 1.79   0.013% *  0.1091% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.66 +/- 1.28   0.021% *  0.0464% (0.27  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  19.86 +/- 1.15   0.002% *  0.1347% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  19.66 +/- 2.24   0.003% *  0.0512% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.11 +/- 1.32   0.001% *  0.0972% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  21.04 +/- 1.04   0.001% *  0.0618% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 5 structures by 0.29 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.98, residual support = 18.4:
          HN    LYS+  99 - QB    LEU   98   3.38 +/- 0.20  97.939% * 97.4414% (0.27   3.98  18.35) =  99.986%  kept
          HN    ASN   35 - QB    LEU   98   8.11 +/- 0.71   0.602% *  1.3239% (0.72   0.02   0.02) =   0.008%
          HE1   HIS  122 - QB    LEU   98  11.11 +/- 3.91   1.453% *  0.3952% (0.22   0.02   0.02) =   0.006%
          HN    GLU-  14 - QB    LEU   98  18.48 +/- 1.29   0.004% *  0.2446% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  23.01 +/- 1.84   0.001% *  0.5949% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.87, residual support = 26.3:
          HN    VAL   41 - QB    LEU   98   3.45 +/- 0.45 100.000% *100.0000% (0.85   2.87  26.28) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.0, residual support = 80.5:
      O   HN    LEU   98 - QB    LEU   98   2.66 +/- 0.19 100.000% *100.0000% (0.85  10.0   5.00  80.46) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 80.5:
      O   HA    LEU   98 - HG    LEU   98   2.98 +/- 0.44 100.000% *100.0000% (0.69  10.0   4.04  80.46) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.86, residual support = 80.5:
          HN    LEU   98 - HG    LEU   98   3.52 +/- 0.66 100.000% *100.0000% (0.98   3.86  80.46) = 100.000%  kept
    Distance limit 3.68 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 3.72, residual support = 27.1:
        T HA    ILE  103 - QD1   LEU   98   2.85 +/- 0.42  99.011% * 95.3462% (0.25 10.00   3.72  27.12) =  99.973%  kept
        T HA    LEU  104 - QD1   LEU   98   6.39 +/- 0.46   0.869% *  2.9222% (0.76 10.00   0.02   6.58) =   0.027%
          HA    ASP-  44 - QD1   LEU   98  10.03 +/- 1.60   0.107% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  17.07 +/- 3.22   0.005% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  16.07 +/- 1.40   0.004% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.45 +/- 1.01   0.001% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  19.17 +/- 2.75   0.002% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  23.07 +/- 1.32   0.000% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.70 +/- 1.75   0.000% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98   8.07 +/- 1.12  72.094% * 33.8723% (0.84   0.02   0.02) =  78.559%  kept
          HE21  GLN   30 - QD1   LEU   98  10.29 +/- 1.35  19.081% * 19.7390% (0.49   0.02   0.02) =  12.117%  kept
          QD    PHE   59 - QD1   LEU   98  12.78 +/- 1.74   8.400% * 33.8723% (0.84   0.02   0.02) =   9.153%  kept
          HH2   TRP   49 - QD1   LEU   98  20.38 +/- 2.72   0.425% * 12.5164% (0.31   0.02   0.02) =   0.171%
    Distance limit 3.50 A violated in 20 structures by 4.09 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.07, residual support = 17.1:
        T QD1   LEU  104 - HB2   LYS+  99   2.37 +/- 0.32  99.967% * 98.4796% (0.69 10.00   3.07  17.08) = 100.000%  kept
        T QD1   LEU   73 - HB2   LYS+  99  11.00 +/- 0.97   0.015% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LYS+  99  11.39 +/- 1.39   0.014% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  19.04 +/- 1.31   0.000% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.97 +/- 1.30   0.003% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  18.80 +/- 2.80   0.001% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  20.52 +/- 4.67   0.001% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.36, residual support = 11.5:
        T QD2   LEU   40 - HB2   LYS+  99   3.77 +/- 0.49  94.087% * 96.6993% (0.95 10.00   2.36  11.53) =  99.892%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.81 +/- 0.40   3.316% *  2.9190% (1.00  1.00   0.57   0.02) =   0.106%
          QD1   ILE  103 - HB2   LYS+  99   7.95 +/- 0.61   1.424% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99  10.30 +/- 2.30   0.583% *  0.0987% (0.97  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LYS+  99  11.20 +/- 1.61   0.518% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  13.29 +/- 1.61   0.057% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.48 +/- 0.78   0.004% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.80 +/- 1.18   0.010% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 2 structures by 0.25 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.81, residual support = 175.6:
      O   HN    LYS+  99 - HB2   LYS+  99   2.70 +/- 0.27  97.218% * 99.4797% (0.31  10.0   4.81 175.58) =  99.998%  kept
          HE1   HIS  122 - HB2   LYS+  99  11.10 +/- 4.29   2.754% *  0.0804% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   LYS+  99  11.13 +/- 1.04   0.027% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.42 +/- 1.49   0.000% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.79 +/- 2.38   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.21, residual support = 175.6:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.02  99.292% * 99.7964% (0.80  10.0   5.21 175.58) =  99.999%  kept
          HE1   HIS  122 - HA    LYS+  99  11.58 +/- 4.30   0.485% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   8.57 +/- 1.20   0.222% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.15 +/- 1.36   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.6:
      O   HN    GLU- 100 - HA    LYS+  99   2.18 +/- 0.00 100.000% *100.0000% (0.84  10.0   6.83  39.58) = 100.000%  kept
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 5.32, residual support = 181.8:
      O   QE    LYS+  99 - HG2   LYS+  99   2.45 +/- 0.41  60.765% * 79.1619% (0.99  10.0   5.43 175.58) =  86.270%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.75 +/- 0.51  37.174% * 20.5905% (0.26  10.0   4.58 220.62) =  13.728%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.38 +/- 2.38   1.771% *  0.0756% (0.95   1.0   0.02   0.02) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38   7.76 +/- 1.81   0.202% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   8.88 +/- 1.04   0.051% *  0.0610% (0.76   1.0   0.02   1.77) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.12 +/- 0.56   0.027% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.83 +/- 2.19   0.005% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  16.43 +/- 1.14   0.001% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.41 +/- 1.14   0.002% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.03 +/- 1.73   0.001% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 175.6:
      O T HA    LYS+  99 - HG2   LYS+  99   2.65 +/- 0.39  87.333% * 98.9579% (0.84  10.0 10.00   7.06 175.58) =  99.992%  kept
          HA    LEU   40 - HG2   LYS+  99   4.30 +/- 0.78   6.288% *  0.0671% (0.57   1.0  1.00   0.02  11.53) =   0.005%
          HA    ASN   35 - HG2   LYS+  38   5.12 +/- 1.30   5.558% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG2   LYS+  38   8.19 +/- 1.66   0.296% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG2   LYS+  99   8.05 +/- 1.40   0.225% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.22 +/- 0.64   0.154% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  14.04 +/- 3.77   0.014% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  15.37 +/- 3.65   0.118% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  17.36 +/- 3.55   0.008% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.34 +/- 1.27   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  19.45 +/- 3.97   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.79 +/- 1.48   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  20.08 +/- 1.71   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.25 +/- 1.49   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.82 +/- 1.32   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.83 +/- 1.73   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  26.94 +/- 1.89   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  29.57 +/- 1.37   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0821, support = 5.11, residual support = 12.5:
          HA    SER   37 - HA    LYS+  38   5.16 +/- 0.22  43.854% * 43.2349% (0.05  1.00   5.53  13.54) =  92.188%  kept
          HA    LEU   40 - HA    GLU- 100   5.83 +/- 1.44  36.253% *  2.7114% (0.80  1.00   0.02   0.02) =   4.779%  kept
          HA    LEU   40 - HA    LYS+  38   6.35 +/- 0.60  14.174% *  3.7869% (0.05  1.00   0.46   0.02) =   2.610%  kept
          HA    SER   37 - HA    GLU- 100   8.64 +/- 1.53   2.951% *  2.5878% (0.76  1.00   0.02   0.02) =   0.371%
          HA    VAL   42 - HA    GLU- 100  10.98 +/- 1.14   0.489% *  0.7539% (0.22  1.00   0.02   0.02) =   0.018%
          HA    GLU-  15 - HA    LYS+  38  14.59 +/- 3.20   1.597% *  0.1936% (0.06  1.00   0.02   0.02) =   0.015%
          HA    GLU-  15 - HA    GLU- 100  17.07 +/- 1.46   0.035% *  3.2031% (0.95  1.00   0.02   0.02) =   0.005%
        T HA    PRO   58 - HA    GLU- 100  25.42 +/- 1.58   0.003% * 31.2577% (0.92 10.00   0.02   0.02) =   0.004%
          HA    SER   13 - HA    GLU- 100  20.24 +/- 1.53   0.013% *  3.2031% (0.95  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HA    LYS+  38  17.09 +/- 3.30   0.213% *  0.1936% (0.06  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HA    GLU- 100  19.35 +/- 1.20   0.015% *  2.5878% (0.76  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HA    GLU- 100  18.37 +/- 3.81   0.031% *  0.6701% (0.20  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.77 +/- 1.06   0.005% *  2.8283% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.21 +/- 0.36   0.255% *  0.0456% (0.01  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HA    LYS+  38  17.81 +/- 2.68   0.071% *  0.1564% (0.05  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  25.48 +/- 1.19   0.003% *  1.8888% (0.06 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  25.35 +/- 1.55   0.003% *  0.4583% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  18.52 +/- 3.77   0.030% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.68 +/- 0.74   0.004% *  0.1709% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  26.19 +/- 1.23   0.003% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 8 structures by 0.92 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   3.07 +/- 0.36  97.642% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.85 +/- 2.14   2.358% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 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   2.22 +/- 0.08  91.236% * 99.9940% (0.84  10.0   6.39  75.58) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   4.79 +/- 2.23   8.764% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.74, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  11.79 +/- 1.53  13.914% * 28.3278% (1.00 10.00   0.02   0.02) =  49.953%  kept
        T HA    GLN   32 - HB2   GLU- 100  10.77 +/- 1.87  29.028% *  8.7627% (0.31 10.00   0.02   0.02) =  32.237%  kept
        T HA    GLU-  29 - HB2   GLU- 100  15.62 +/- 1.75   2.587% * 27.8286% (0.98 10.00   0.02   0.02) =   9.122%  kept
          HA    VAL   70 - HB2   GLU- 100  11.84 +/- 1.30  15.904% *  2.3714% (0.84  1.00   0.02   0.02) =   4.780%  kept
          HB2   SER   37 - HB2   GLU- 100  10.30 +/- 1.96  37.124% *  0.5618% (0.20  1.00   0.02   0.02) =   2.644%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.85 +/- 1.47   0.299% * 23.7140% (0.84 10.00   0.02   0.02) =   0.900%  kept
          HA    VAL   18 - HB2   GLU- 100  18.65 +/- 0.99   0.886% *  2.7399% (0.97  1.00   0.02   0.02) =   0.308%
          HB2   SER   82 - HB2   GLU- 100  28.40 +/- 3.83   0.113% *  2.6208% (0.92  1.00   0.02   0.02) =   0.038%
          HA    SER   48 - HB2   GLU- 100  31.16 +/- 1.16   0.044% *  1.6074% (0.57  1.00   0.02   0.02) =   0.009%
          HA    ALA   88 - HB2   GLU- 100  30.67 +/- 2.27   0.054% *  0.9684% (0.34  1.00   0.02   0.02) =   0.007%
          HD2   PRO   52 - HB2   GLU- 100  30.97 +/- 1.01   0.047% *  0.4972% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.34 A violated in 20 structures by 5.06 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   4.05 +/- 1.09  51.649% * 97.4995% (0.45   5.29  39.58) =  99.555%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.85 +/- 3.02  48.303% *  0.4659% (0.57   0.02   0.02) =   0.445%
          HB2   LEU   31 - HG2   GLU- 100  12.02 +/- 1.38   0.044% *  0.1441% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.49 +/- 1.06   0.001% *  0.8066% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  19.96 +/- 1.17   0.002% *  0.1628% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  27.15 +/- 1.70   0.000% *  0.7380% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.33 +/- 2.20   0.000% *  0.1832% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 8 structures by 0.87 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   3.13 +/- 1.36  81.126% * 96.7886% (0.45   4.09  39.58) =  99.857%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.93 +/- 3.04  18.830% *  0.5983% (0.57   0.02   0.02) =   0.143%
          HB2   LEU   31 - HG3   GLU- 100  11.65 +/- 1.46   0.042% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.63 +/- 0.90   0.001% *  1.0359% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  19.54 +/- 1.26   0.001% *  0.2091% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  26.25 +/- 1.60   0.000% *  0.9478% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.02 +/- 2.06   0.000% *  0.2353% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 3 structures by 0.44 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   2.86 +/- 0.53  80.214% * 99.7364% (1.00  10.0   4.46  75.58) =  99.995%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.77 +/- 2.86  19.786% *  0.0198% (0.20   1.0   0.02   0.02) =   0.005%
          HA    VAL   83 - HG3   GLU- 100  25.53 +/- 2.85   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.07 +/- 1.57   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.47 +/- 1.12   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 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   2.92 +/- 0.42 100.000% *100.0000% (0.97   4.30  75.58) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.48, residual support = 75.6:
          HN    GLU- 100 - HG2   GLU- 100   3.67 +/- 0.51 100.000% *100.0000% (0.84   6.48  75.58) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 159.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.60 +/- 0.16  99.364% * 99.6342% (1.00  10.0   4.65 159.81) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.91 +/- 1.57   0.275% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   7.65 +/- 1.01   0.263% *  0.0272% (0.27   1.0   0.02   0.17) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.39 +/- 1.03   0.061% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.93 +/- 1.45   0.025% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  12.40 +/- 1.26   0.010% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  20.11 +/- 2.34   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  18.08 +/- 1.76   0.001% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 22.2:
          HN    ILE  103 - QB    LYS+ 102   3.17 +/- 0.41  99.711% * 98.9466% (1.00   5.46  22.16) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   9.66 +/- 1.34   0.277% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  18.16 +/- 0.62   0.003% *  0.1907% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  18.11 +/- 1.28   0.004% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  23.41 +/- 1.28   0.001% *  0.3430% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  21.33 +/- 1.26   0.001% *  0.1541% (0.43   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  21.09 +/- 2.79   0.002% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  24.90 +/- 3.07   0.001% *  0.0807% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.8:
          HN    LYS+ 102 - HG2   LYS+ 102   3.56 +/- 0.54  98.468% * 99.2115% (0.73   4.42 159.81) =  99.996%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.32 +/- 1.51   1.418% *  0.2322% (0.38   0.02   0.02) =   0.003%
          HN    GLU-  36 - HG2   LYS+ 102  13.65 +/- 1.53   0.037% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  12.52 +/- 1.76   0.074% *  0.1083% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  23.05 +/- 2.74   0.002% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.508, support = 0.0198, residual support = 0.0198:
        T QB    SER  117 - HA    ILE  103  13.06 +/- 1.22  15.922% *  7.5887% (0.34 10.00   0.02   0.02) =  47.402%  kept
          HA    LYS+ 121 - HA    ILE  103  12.54 +/- 2.52  23.511% *  1.5282% (0.69  1.00   0.02   0.02) =  14.096%  kept
          HB    THR   94 - HA    ILE  103  13.23 +/- 0.80  15.058% *  1.7002% (0.76  1.00   0.02   0.02) =  10.044%  kept
        T QB    SER   85 - HA    ILE  103  22.63 +/- 2.66   0.663% * 19.9520% (0.90 10.00   0.02   0.02) =   5.189%  kept
          HA2   GLY   16 - HA    THR   39  13.10 +/- 2.11  19.629% *  0.6592% (0.30  1.00   0.02   0.02) =   5.076%  kept
        T QB    SER   48 - HA    ILE  103  22.92 +/- 1.49   0.541% * 19.2979% (0.87 10.00   0.02   0.02) =   4.095%  kept
          HA    ALA  120 - HA    ILE  103  15.92 +/- 1.90   4.634% *  2.2050% (0.99  1.00   0.02   0.02) =   4.009%  kept
        T QB    SER  117 - HA    THR   39  18.92 +/- 1.34   1.715% *  2.5072% (0.11 10.00   0.02   0.02) =   1.687%  kept
          HA    LYS+  65 - HA    THR   39  15.56 +/- 1.29   5.864% *  0.6139% (0.28  1.00   0.02   0.02) =   1.413%  kept
        T HA2   GLY   51 - HA    ILE  103  26.83 +/- 1.03   0.204% * 13.4936% (0.61 10.00   0.02   0.02) =   1.080%  kept
          HA    LYS+ 121 - HA    THR   39  15.91 +/- 2.32   4.996% *  0.5049% (0.23  1.00   0.02   0.02) =   0.990%  kept
        T HD2   PRO   52 - HA    ILE  103  23.60 +/- 1.08   0.448% *  5.5474% (0.25 10.00   0.02   0.02) =   0.975%  kept
          HA    LYS+  65 - HA    ILE  103  20.00 +/- 1.15   1.275% *  1.8582% (0.84  1.00   0.02   0.02) =   0.929%  kept
          HA2   GLY   16 - HA    ILE  103  20.46 +/- 1.49   1.031% *  1.9952% (0.90  1.00   0.02   0.02) =   0.807%  kept
          HA    ALA  120 - HA    THR   39  17.67 +/- 2.52   2.744% *  0.7285% (0.33  1.00   0.02   0.02) =   0.784%  kept
        T QB    SER   48 - HA    THR   39  26.70 +/- 0.46   0.202% *  6.3756% (0.29 10.00   0.02   0.02) =   0.505%  kept
        T QB    SER   85 - HA    THR   39  28.12 +/- 1.82   0.161% *  6.5917% (0.30 10.00   0.02   0.02) =   0.416%
          HB    THR   94 - HA    THR   39  20.23 +/- 1.11   1.186% *  0.5617% (0.25  1.00   0.02   0.02) =   0.261%
        T HA2   GLY   51 - HA    THR   39  31.32 +/- 1.17   0.082% *  4.4580% (0.20 10.00   0.02   0.02) =   0.144%
        T HD2   PRO   52 - HA    THR   39  28.95 +/- 1.21   0.135% *  1.8327% (0.08 10.00   0.02   0.02) =   0.097%
    Distance limit 3.08 A violated in 20 structures by 6.34 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.56, residual support = 37.0:
      O   HN    LEU  104 - HA    ILE  103   2.21 +/- 0.04  99.977% * 99.8797% (0.92  10.0   6.56  36.96) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.62 +/- 0.57   0.016% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  11.69 +/- 0.74   0.005% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.03 +/- 0.90   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.9, residual support = 39.5:
      O   HN    THR   39 - HA    THR   39   2.80 +/- 0.07  95.717% * 72.9739% (0.33  10.0   3.91  39.72) =  98.544%  kept
          HN    LYS+ 102 - HA    ILE  103   4.79 +/- 0.20   3.974% * 25.9654% (0.65   1.0   3.60  22.16) =   1.456%  kept
          HN    GLU-  36 - HA    THR   39   8.20 +/- 0.71   0.215% *  0.0615% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.76 +/- 1.08   0.067% *  0.0476% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.60 +/- 0.68   0.012% *  0.2209% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.72 +/- 0.91   0.005% *  0.1861% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  18.43 +/- 2.61   0.002% *  0.2224% (1.00   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.72 +/- 1.29   0.002% *  0.1085% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.83 +/- 0.85   0.002% *  0.0358% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.82 +/- 0.86   0.001% *  0.0344% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  21.31 +/- 1.40   0.001% *  0.0441% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  25.68 +/- 1.48   0.000% *  0.0735% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.17 +/- 0.98   0.001% *  0.0114% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.98 +/- 1.12   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 3.72, residual support = 27.1:
        T QD1   LEU   98 - HA    ILE  103   2.85 +/- 0.42  99.813% * 99.6453% (0.41 10.00   3.72  27.12) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  10.80 +/- 1.10   0.059% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39   9.69 +/- 0.84   0.119% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.18 +/- 1.00   0.009% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.382, support = 2.69, residual support = 4.22:
          HN    ASP- 105 - QG2   ILE  103   2.77 +/- 0.40  99.128% * 31.2992% (0.38   2.68   3.89) =  98.175%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.43 +/- 0.14   0.846% * 68.1417% (0.73   3.02  22.16) =   1.825%  kept
          HN    GLU-  36 - QG2   ILE  103  14.94 +/- 0.75   0.005% *  0.3272% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.15 +/- 0.58   0.011% *  0.1089% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   ILE  103  14.65 +/- 2.35   0.009% *  0.1231% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.35, residual support = 37.0:
          HN    LEU  104 - QG2   ILE  103   2.79 +/- 0.28  99.991% * 99.9386% (0.90   6.35  36.96) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.46 +/- 0.93   0.009% *  0.0614% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.74, residual support = 135.7:
      O   HN    ILE  103 - HB    ILE  103   2.10 +/- 0.05  99.999% * 99.8308% (1.00  10.0   6.74 135.69) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  15.60 +/- 0.94   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  21.37 +/- 1.46   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  24.17 +/- 3.46   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 135.7:
      O T HA    ILE  103 - HG12  ILE  103   2.46 +/- 0.22  99.697% * 97.9216% (0.20  10.0 10.00   5.98 135.69) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.54 +/- 0.20   0.293% *  0.3001% (0.61   1.0  1.00   0.02  36.96) =   0.001%
          HA    ASP-  44 - HG12  ILE  103  12.04 +/- 1.04   0.009% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG12  ILE  103  20.32 +/- 3.52   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  19.23 +/- 1.66   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.97 +/- 1.23   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  22.78 +/- 2.71   0.000% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  29.48 +/- 1.64   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  31.54 +/- 2.12   0.000% *  0.1761% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 135.7:
          HN    ILE  103 - HG12  ILE  103   3.11 +/- 0.27  99.988% * 99.5129% (0.80   6.92 135.69) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  15.27 +/- 0.73   0.009% *  0.1512% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  20.19 +/- 1.55   0.002% *  0.2719% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  22.31 +/- 3.49   0.001% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.26, residual support = 135.7:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.991% * 99.2748% (0.58  10.0 10.00   4.26 135.69) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.88 +/- 0.75   0.007% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.63 +/- 1.31   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.39 +/- 0.82   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.99 +/- 1.11   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.62 +/- 1.28   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.459, support = 4.74, residual support = 135.7:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.02  90.858% * 32.5765% (0.39  10.0 10.00   4.62 135.69) =  83.100%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.17 +/- 0.15   9.014% * 66.7776% (0.80  10.0 10.00   5.32 135.69) =  16.899%  kept
          QD2   LEU   40 - HG12  ILE  103   6.55 +/- 0.38   0.119% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.26 +/- 1.55   0.003% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  13.07 +/- 1.92   0.003% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.99 +/- 1.36   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.89 +/- 1.19   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.70 +/- 0.98   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.17, residual support = 27.1:
          QD1   LEU   98 - HG12  ILE  103   2.31 +/- 0.59  99.994% * 99.7219% (0.72   5.17  27.12) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  13.98 +/- 1.24   0.006% *  0.2781% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.776, support = 4.03, residual support = 135.7:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.01  68.162% * 82.5087% (0.84  10.0   3.97 135.69) =  91.081%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.45 +/- 0.20  31.835% * 17.2996% (0.18  10.0   4.64 135.69) =   8.919%  kept
          QD2   LEU   71 - HG13  ILE  103  13.31 +/- 1.37   0.002% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  13.96 +/- 1.14   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.06 +/- 0.83   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.3, residual support = 27.1:
          QD1   LEU   98 - HG13  ILE  103   2.99 +/- 0.90  99.964% * 99.3767% (0.90   2.30  27.12) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.01 +/- 1.04   0.036% *  0.6233% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 2 structures by 0.18 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  10.32 +/- 1.13  57.451% * 17.5479% (0.45   0.02   0.02) =  50.138%  kept
          HE21  GLN   30 - QD1   ILE  103  12.80 +/- 1.55  16.923% * 30.1124% (0.77   0.02   0.02) =  25.343%  kept
          QD    PHE   59 - QD1   ILE  103  12.29 +/- 1.27  23.113% * 17.5479% (0.45   0.02   0.02) =  20.170%  kept
          HH2   TRP   49 - QD1   ILE  103  18.68 +/- 2.80   2.513% * 34.7918% (0.89   0.02   0.02) =   4.349%  kept
    Distance limit 3.95 A violated in 20 structures by 5.39 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.57, support = 0.02, residual support = 0.02:
          HE3   TRP   87 - QD1   ILE  103  13.27 +/- 2.57  38.234% * 16.9137% (0.52   0.02   0.02) =  39.454%  kept
          HN    TRP   87 - QD1   ILE  103  14.85 +/- 2.23  17.355% * 21.6935% (0.67   0.02   0.02) =  22.969%  kept
          HD21  ASN   69 - QD1   ILE  103  15.91 +/- 1.42  13.205% * 20.5212% (0.63   0.02   0.02) =  16.533%  kept
          HN    GLN   17 - QD1   ILE  103  17.70 +/- 1.26   6.228% * 25.9142% (0.80   0.02   0.02) =   9.846%  kept
          HN    ALA   91 - QD1   ILE  103  15.69 +/- 1.60  14.468% *  6.6512% (0.21   0.02   0.02) =   5.871%  kept
          HN    ALA   61 - QD1   ILE  103  16.37 +/- 1.29  10.511% *  8.3063% (0.26   0.02   0.02) =   5.327%  kept
    Distance limit 3.61 A violated in 20 structures by 7.29 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.69, residual support = 135.7:
          HN    ILE  103 - QD1   ILE  103   3.68 +/- 0.42  99.820% * 99.4082% (0.92   5.69 135.69) = 100.000%  kept
          HN    GLY  109 - QD1   ILE  103  11.55 +/- 0.93   0.142% *  0.1837% (0.49   0.02   0.02) =   0.000%
          HN    GLN   90 - QD1   ILE  103  15.68 +/- 1.40   0.024% *  0.3303% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  17.94 +/- 2.83   0.014% *  0.0777% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.3, residual support = 135.7:
      O   HA    ILE  103 - HG13  ILE  103   2.60 +/- 0.37  99.375% * 99.0827% (0.73  10.0   5.30 135.69) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.26 +/- 0.32   0.589% *  0.0379% (0.28   1.0   0.02  36.96) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  11.08 +/- 0.84   0.024% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  19.96 +/- 3.63   0.002% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.66 +/- 0.88   0.006% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  18.48 +/- 1.41   0.001% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  22.22 +/- 2.70   0.001% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  22.74 +/- 1.45   0.000% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.95 +/- 1.17   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.63 +/- 1.61   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.63 +/- 1.20   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.84 +/- 2.00   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 135.7:
          HN    ILE  103 - HG13  ILE  103   4.04 +/- 0.33  99.915% * 99.4478% (1.00   6.10 135.69) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  13.90 +/- 0.70   0.069% *  0.1714% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  19.26 +/- 1.34   0.010% *  0.3082% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  21.99 +/- 3.35   0.006% *  0.0725% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.23, residual support = 135.7:
          HN    ILE  103 - QG2   ILE  103   3.47 +/- 0.10  99.902% * 99.2235% (0.69   6.23 135.69) = 100.000%  kept
          HN    GLY  109 - QG2   ILE  103  11.40 +/- 0.73   0.088% *  0.4475% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  16.96 +/- 1.03   0.008% *  0.2257% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  22.44 +/- 0.88   0.001% *  0.1032% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 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   4.28 +/- 0.10  99.953% * 98.7652% (0.38   4.78  22.16) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  20.79 +/- 1.12   0.008% *  1.0168% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.52 +/- 1.34   0.039% *  0.2180% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.68, residual support = 17.3:
        T HB2   PHE   97 - HB2   LEU  104   3.34 +/- 0.64  91.809% * 99.7054% (0.82 10.00   4.68  17.29) =  99.996%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.41 +/- 1.16   1.843% *  0.0945% (0.78  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HB2   LEU  104   5.78 +/- 0.89   6.324% *  0.0263% (0.22  1.00   0.02  17.08) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  15.22 +/- 1.12   0.017% *  0.0765% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  16.67 +/- 1.15   0.008% *  0.0973% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.5, residual support = 40.9:
          HN    ASP- 105 - HB2   LEU  104   2.75 +/- 0.33 100.000% * 99.8781% (0.82   6.50  40.93) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  25.42 +/- 2.07   0.000% *  0.1219% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 220.7:
      O   HN    LEU  104 - HB2   LEU  104   2.60 +/- 0.30  99.993% * 99.7579% (0.36  10.0   7.38 220.68) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.34 +/- 1.32   0.007% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.86, residual support = 220.7:
      O   HN    LEU  104 - HB3   LEU  104   3.57 +/- 0.24  99.971% * 99.9343% (0.71  10.0   6.86 220.68) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.56 +/- 1.31   0.029% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.42, residual support = 220.7:
          HN    LEU  104 - HG    LEU  104   2.80 +/- 0.38  99.986% * 99.8232% (0.92   7.42 220.68) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.13 +/- 1.12   0.014% *  0.1768% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 1.5, residual support = 17.0:
          HN    LYS+  99 - HG    LEU  104   3.42 +/- 0.71  85.297% * 96.3289% (0.98   1.50  17.08) =  99.767%  kept
          HE1   HIS  122 - HG    LEU  104   9.71 +/- 4.67  14.690% *  1.3074% (1.00   0.02   0.02) =   0.233%
          HN    GLN   30 - HG    LEU  104  16.56 +/- 1.37   0.010% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.55 +/- 1.22   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  25.35 +/- 2.87   0.001% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.392, support = 6.8, residual support = 216.6:
          HN    LEU  104 - QD1   LEU  104   3.90 +/- 0.47  89.178% * 77.5729% (0.40   6.86 220.68) =  97.759%  kept
          HN    PHE   72 - QD1   LEU   73   6.08 +/- 0.30   7.289% * 21.6936% (0.18   4.29  39.35) =   2.235%  kept
          HN    PHE   72 - QD1   LEU   63   8.21 +/- 1.43   2.395% *  0.1011% (0.18   0.02  18.01) =   0.003%
          HN    PHE   72 - QD1   LEU  104  11.05 +/- 1.35   0.287% *  0.5491% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63   9.66 +/- 1.22   0.556% *  0.0417% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  10.66 +/- 0.93   0.295% *  0.0417% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.07, residual support = 17.1:
        T HB2   LYS+  99 - QD1   LEU  104   2.37 +/- 0.32  98.494% * 97.1108% (0.40 10.00   3.07  17.08) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   5.34 +/- 0.63   1.365% *  0.0229% (0.09  1.00   0.02   8.05) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.41 +/- 0.87   0.020% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.00 +/- 0.97   0.014% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.39 +/- 1.39   0.014% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.28 +/- 1.40   0.083% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  20.28 +/- 1.61   0.000% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  13.06 +/- 1.22   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  15.58 +/- 1.47   0.002% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  15.46 +/- 1.48   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  24.00 +/- 1.58   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  19.12 +/- 1.29   0.000% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.14, residual support = 17.1:
          HB2   LYS+  99 - QD2   LEU  104   2.44 +/- 0.44  97.186% * 87.8474% (0.90  1.00   2.14  17.08) =  99.994%  kept
        T HB    VAL   43 - QD2   LEU  104  10.34 +/- 1.17   0.024% *  8.8490% (0.97 10.00   0.02   0.02) =   0.002%
        T HB    VAL   43 - QG1   VAL   41   7.36 +/- 0.44   0.198% *  0.4753% (0.05 10.00   0.02   1.90) =   0.001%
        T HB    VAL   43 - QG2   VAL   18   9.50 +/- 0.68   0.053% *  1.3598% (0.15 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.37 +/- 0.66   1.470% *  0.0351% (0.04  1.00   0.02  50.08) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   6.43 +/- 1.19   1.054% *  0.0442% (0.05  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  14.97 +/- 0.98   0.003% *  0.1264% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  16.52 +/- 0.84   0.002% *  0.1301% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.15 +/- 1.17   0.001% *  0.2286% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  23.82 +/- 1.65   0.000% *  0.8464% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.56 +/- 1.68   0.008% *  0.0123% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  19.77 +/- 1.48   0.001% *  0.0455% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.38, residual support = 42.6:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.821% * 98.4679% (0.72  10.0 10.00   3.38  42.57) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.12 +/- 0.24   0.168% *  0.1263% (0.93   1.0  1.00   0.02  21.80) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.47 +/- 0.33   0.008% *  0.0885% (0.65   1.0  1.00   0.02   3.89) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  16.38 +/- 3.66   0.001% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  15.70 +/- 0.66   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.21 +/- 1.17   0.001% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.48 +/- 1.07   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.94 +/- 0.90   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.33 +/- 1.14   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.47 +/- 1.61   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.19 +/- 1.20   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.50 +/- 0.69   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  24.88 +/- 1.92   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.64, residual support = 4.51:
        T QG2   THR  118 - HB2   ASP- 105   4.11 +/- 1.77 100.000% *100.0000% (0.54 10.00   1.64   4.51) = 100.000%  kept
    Distance limit 3.24 A violated in 8 structures by 1.15 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.64, residual support = 4.51:
        T QG2   THR  118 - HB3   ASP- 105   4.52 +/- 1.44 100.000% *100.0000% (0.57 10.00   1.64   4.51) = 100.000%  kept
    Distance limit 3.45 A violated in 8 structures by 1.12 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.88, support = 4.37, residual support = 45.8:
          HB2   PHE   97 - HB2   ASP- 105   4.24 +/- 0.91  64.256% * 54.0580% (0.89   4.53  56.87) =  68.358%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.38 +/- 1.55  35.365% * 45.4632% (0.85   4.02  21.80) =  31.641%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.02 +/- 1.01   0.322% *  0.0629% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.47 +/- 1.45   0.048% *  0.1831% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  17.94 +/- 1.08   0.010% *  0.2328% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.808, support = 3.73, residual support = 52.3:
        T HB2   PHE   97 - HB3   ASP- 105   3.97 +/- 0.91  75.381% * 67.7091% (0.87 10.00   3.73  56.87) =  87.041%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.95 +/- 1.56  23.678% * 32.0903% (0.41 10.00   3.74  21.80) =  12.958%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.99 +/- 1.06   0.638% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  10.64 +/- 0.84   0.243% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.92 +/- 1.37   0.037% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.35 +/- 1.69   0.015% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.94 +/- 1.04   0.007% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 42.6:
      O T HA    ASP- 105 - HB3   ASP- 105   2.88 +/- 0.18  99.999% * 99.8608% (0.87  10.0 10.00   3.21  42.57) = 100.000%  kept
          HB    THR   23 - HB3   ASP- 105  23.84 +/- 1.34   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  25.60 +/- 2.72   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  21.70 +/- 1.40   0.001% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.66, residual support = 42.6:
      O   HN    ASP- 105 - HB3   ASP- 105   3.11 +/- 0.34  99.999% * 99.9603% (0.95  10.0   4.66  42.57) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  24.13 +/- 1.73   0.001% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.85, residual support = 21.8:
          HN    LYS+ 106 - HB3   ASP- 105   3.61 +/- 0.50  99.721% * 99.5442% (0.18   3.85  21.80) =  99.999%  kept
          HN    VAL   41 - HB3   ASP- 105  10.37 +/- 1.00   0.279% *  0.4558% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.34, residual support = 56.9:
          QD    PHE   97 - HB2   ASP- 105   3.88 +/- 0.91  99.971% * 99.2980% (0.87   3.34  56.87) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  20.97 +/- 3.60   0.025% *  0.5586% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  23.71 +/- 2.24   0.004% *  0.1434% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 2 structures by 0.30 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.75, residual support = 42.6:
      O   HN    ASP- 105 - HB2   ASP- 105   3.63 +/- 0.32  99.998% * 99.9603% (0.89  10.0   4.75  42.57) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  23.31 +/- 2.01   0.002% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.82, residual support = 21.8:
          HN    LYS+ 106 - HB2   ASP- 105   2.66 +/- 0.38  99.966% * 99.5403% (0.17   3.82  21.80) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.08 +/- 0.86   0.034% *  0.4597% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.06, residual support = 2.12:
        T HA    MET   96 - HA    LYS+ 106   3.15 +/- 0.50  99.935% * 99.9186% (0.87 10.00   1.06   2.12) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.71 +/- 0.69   0.065% *  0.0814% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.84, residual support = 9.99:
          QD    PHE   97 - HA    LYS+ 106   3.97 +/- 1.22  99.919% * 99.5655% (0.45   3.84   9.99) = 100.000%  kept
          HZ3   TRP   87 - HA    LYS+ 106  17.87 +/- 3.25   0.081% *  0.4345% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 5 structures by 0.62 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.9, residual support = 9.99:
          HN    PHE   97 - HA    LYS+ 106   3.77 +/- 0.47  99.252% * 99.1052% (0.90   2.90   9.99) =  99.995%  kept
          HN    LEU  115 - HA    LYS+ 106   9.25 +/- 0.85   0.651% *  0.6830% (0.90   0.02   0.02) =   0.005%
          HN    ASP- 113 - HA    LYS+ 106  12.61 +/- 1.01   0.097% *  0.2117% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 135.8:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.01 100.000% *100.0000% (0.61  10.0   5.18 135.77) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.24 +/- 0.06 100.000% * 99.8992% (0.99  10.0   4.58  26.83) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.24 +/- 1.03   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.4, residual support = 135.8:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.24 +/- 0.20  99.860% * 99.9120% (0.18  10.0   5.40 135.77) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.17 +/- 1.13   0.140% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.14, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.18 +/- 0.22  99.996% * 99.6087% (0.99   5.14  26.83) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.37 +/- 1.24   0.004% *  0.3913% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 135.8:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.39 +/- 0.07  99.417% * 94.0497% (0.61  10.0 10.00   5.95 135.77) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.43 +/- 0.88   0.145% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+ 106   9.13 +/- 1.41   0.266% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.57 +/- 1.14   0.010% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   8.96 +/- 2.28   0.125% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  11.98 +/- 1.52   0.009% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.64 +/- 1.36   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.30 +/- 1.46   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.97 +/- 0.59   0.021% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.55 +/- 0.74   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.00 +/- 0.93   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  17.06 +/- 3.16   0.001% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.39 +/- 1.33   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 5.47:
          QG2   VAL  108 - QB    LYS+ 106   2.96 +/- 0.27  98.747% * 98.4939% (1.00   2.73   5.47) =  99.991%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.22 +/- 0.59   1.045% *  0.7079% (0.98   0.02   0.02) =   0.008%
          QD1   ILE  119 - QB    LYS+ 106   9.26 +/- 1.29   0.192% *  0.5519% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.35 +/- 1.25   0.016% *  0.2463% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 4.57, residual support = 26.4:
          QG2   VAL  107 - QB    LYS+ 106   5.35 +/- 0.33  15.335% * 98.7146% (0.76   4.64  26.83) =  98.458%  kept
          HG13  ILE  103 - QB    LYS+ 106   4.99 +/- 0.62  26.036% *  0.5556% (1.00   0.02   0.02) =   0.941%  kept
          QG2   THR   94 - QB    LYS+ 106   4.31 +/- 1.06  57.405% *  0.1548% (0.28   0.02   0.02) =   0.578%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.06 +/- 2.26   1.145% *  0.2930% (0.53   0.02   0.02) =   0.022%
          HB3   LYS+ 112 - QB    LYS+ 106  13.73 +/- 0.66   0.050% *  0.1719% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.48 +/- 0.89   0.030% *  0.1102% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 2 structures by 0.26 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.92, residual support = 110.1:
          HN    LYS+  81 - QG    LYS+  81   2.55 +/- 0.38  99.766% * 84.6261% (0.13   5.92 110.14) =  99.998%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.64 +/- 1.51   0.162% *  0.7379% (0.34   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG    LYS+  81  13.17 +/- 2.95   0.017% *  1.0086% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81  11.63 +/- 2.12   0.029% *  0.5414% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+  33  13.11 +/- 0.71   0.007% *  2.1066% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  14.09 +/- 0.71   0.005% *  1.1307% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.29 +/- 1.54   0.003% *  1.2776% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.08 +/- 1.11   0.002% *  1.2330% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  18.04 +/- 2.33   0.002% *  1.2167% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  17.19 +/- 1.95   0.002% *  0.5826% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  19.42 +/- 1.92   0.001% *  0.9734% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  17.65 +/- 2.62   0.001% *  0.4253% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.31 +/- 2.41   0.002% *  0.2579% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.42 +/- 1.50   0.001% *  0.6857% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  24.05 +/- 3.27   0.000% *  0.5975% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.81 +/- 1.60   0.000% *  2.0330% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  23.89 +/- 2.83   0.000% *  0.3624% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  25.94 +/- 1.14   0.000% *  0.2036% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.272, support = 0.0199, residual support = 0.0199:
          HN    GLU-  79 - QG    LYS+  81   5.94 +/- 0.82  93.626% * 10.3925% (0.27   0.02   0.02) =  94.946%  kept
          HN    VAL   70 - HG2   LYS+  33  13.02 +/- 2.43   1.427% * 18.6620% (0.49   0.02   0.02) =   2.599%  kept
          HN    THR   94 - HG2   LYS+ 106  10.83 +/- 1.13   4.169% *  4.6016% (0.12   0.02   0.02) =   1.872%  kept
          HN    VAL   70 - HG2   LYS+ 106  17.84 +/- 1.92   0.197% * 11.3181% (0.30   0.02   0.02) =   0.217%
          HN    THR   94 - QG    LYS+  81  15.06 +/- 1.22   0.407% *  3.6327% (0.09   0.02   0.02) =   0.144%
          HN    GLU-  79 - HG2   LYS+  33  21.92 +/- 1.39   0.041% * 21.7063% (0.57   0.02   0.02) =   0.088%
          HN    GLU-  79 - HG2   LYS+ 106  21.40 +/- 1.81   0.062% * 13.1644% (0.34   0.02   0.02) =   0.080%
          HN    THR   94 - HG2   LYS+  33  21.43 +/- 1.74   0.055% *  7.5874% (0.20   0.02   0.02) =   0.041%
          HN    VAL   70 - QG    LYS+  81  26.19 +/- 1.18   0.015% *  8.9350% (0.23   0.02   0.02) =   0.013%
    Distance limit 3.89 A violated in 19 structures by 1.99 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   3.25 +/- 0.34  99.959% * 99.8764% (0.18  10.0   5.66 135.77) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.24 +/- 1.27   0.034% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.92 +/- 1.09   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.05 +/- 1.07   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.8:
        T HB2   PHE   95 - HB    VAL  107   2.22 +/- 0.60 100.000% *100.0000% (0.69 10.00   4.31  45.81) = 100.000%  kept
    Distance limit 3.16 A violated in 1 structures by 0.07 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  99.889% * 99.7352% (0.72  10.0 10.00   3.20  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.44 +/- 1.12   0.093% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.71 +/- 1.32   0.008% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.32 +/- 0.84   0.009% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.36 +/- 0.99   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.29 +/- 1.05   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 58.2:
      O T QG1   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.899% * 99.7552% (0.71  10.0 10.00   3.62  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.44 +/- 1.12   0.093% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.33 +/- 1.06   0.006% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  14.84 +/- 1.55   0.001% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  15.57 +/- 1.25   0.001% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.29 +/- 1.05   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 = 0.665, support = 0.616, residual support = 5.58:
          QD2   LEU  115 - HB    VAL  107   5.40 +/- 0.97  45.479% * 53.2725% (0.67   0.75   8.46) =  65.322%  kept
          QD1   LEU   63 - HB    VAL  107   5.47 +/- 1.43  42.264% * 26.0606% (0.71   0.35   0.14) =  29.696%  kept
          QD2   LEU   63 - HB    VAL  107   6.70 +/- 1.33  11.239% * 16.3375% (0.33   0.47   0.14) =   4.951%  kept
          QD1   LEU  104 - HB    VAL  107  10.38 +/- 0.76   0.618% *  1.0571% (0.50   0.02   0.02) =   0.018%
          QD1   LEU   73 - HB    VAL  107  12.26 +/- 0.84   0.239% *  1.5084% (0.71   0.02   0.02) =   0.010%
          QD2   LEU   80 - HB    VAL  107  16.76 +/- 3.36   0.070% *  1.3801% (0.65   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB    VAL  107  15.05 +/- 2.13   0.091% *  0.3837% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 1 structures by 0.46 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 45.8:
          QD    PHE   95 - HB    VAL  107   2.32 +/- 0.61  99.993% * 99.8339% (0.63   3.85  45.81) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.15 +/- 0.90   0.007% *  0.1661% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.0199, residual support = 2.43:
          QD    PHE   97 - HB    VAL  107   6.41 +/- 1.26  99.645% * 54.4328% (0.33   0.02   2.44) =  99.703%  kept
          HZ3   TRP   87 - HB    VAL  107  19.20 +/- 2.82   0.355% * 45.5672% (0.27   0.02   0.02) =   0.297%
    Distance limit 3.73 A violated in 20 structures by 2.68 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   2.41 +/- 0.37  99.998% * 99.8992% (0.72  10.0   3.33  58.23) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.15 +/- 0.96   0.002% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 45.8:
          HN    PHE   95 - HB    VAL  107   3.46 +/- 0.61 100.000% *100.0000% (0.47   3.24  45.81) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.07, residual support = 58.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.07 +/- 0.04  99.452% * 99.3994% (0.99  10.0  1.00   4.07  58.23) =  99.999%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.44 +/- 0.78   0.490% *  0.1985% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QG1   VAL  107   7.82 +/- 1.26   0.044% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.26 +/- 0.66   0.014% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.35 +/- 1.06   0.000% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.79 +/- 0.91   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  99.757% * 99.5757% (0.65  10.0 10.00   3.62  58.23) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   6.18 +/- 0.38   0.181% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   8.02 +/- 1.04   0.051% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.54 +/- 1.09   0.010% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  16.99 +/- 1.27   0.000% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  18.95 +/- 1.18   0.000% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.09 +/- 0.83   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  99.777% * 99.2330% (0.65  10.0 10.00   3.20  58.23) = 100.000%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.38 +/- 1.03   0.094% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   6.89 +/- 0.52   0.098% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.88 +/- 1.10   0.030% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  15.75 +/- 1.29   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.32 +/- 1.29   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.52 +/- 0.79   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 1.74, residual support = 5.31:
        T QB    GLU- 114 - QG2   VAL  107   3.78 +/- 0.74  68.194% * 98.5355% (0.65 10.00   1.74   5.32) =  99.911%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.88 +/- 1.48  28.211% *  0.1738% (0.99  1.00   0.02   0.02) =   0.073%
        T HB    ILE  119 - QG2   VAL  107   7.01 +/- 1.08   3.469% *  0.3071% (0.18 10.00   0.02   0.02) =   0.016%
          HG2   PRO   68 - QG2   VAL  107  15.49 +/- 2.42   0.046% *  0.0854% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  16.17 +/- 2.05   0.021% *  0.1404% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   VAL  107  16.45 +/- 0.72   0.010% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.84 +/- 0.66   0.009% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.34 +/- 0.73   0.016% *  0.0993% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  20.21 +/- 1.10   0.003% *  0.1659% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.00 +/- 0.85   0.006% *  0.0721% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.69 +/- 0.75   0.010% *  0.0307% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.09 +/- 0.62   0.006% *  0.0390% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 7 structures by 0.88 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.939, support = 1.42, residual support = 4.01:
        T QD1   LEU   63 - QG1   VAL  107   4.82 +/- 1.29  24.039% * 64.4398% (0.98 10.00   0.67   0.14) =  50.805%  kept
          QD2   LEU  115 - QG1   VAL  107   3.61 +/- 0.53  67.976% * 20.8696% (0.92  1.00   2.30   8.46) =  46.527%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.59 +/- 1.28   7.504% * 10.7522% (0.45 10.00   0.24   0.14) =   2.646%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.55 +/- 0.68   0.368% *  1.3485% (0.69 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   73 - QG1   VAL  107  11.36 +/- 0.86   0.066% *  1.9243% (0.98 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   83 - QG1   VAL  107  13.85 +/- 2.08   0.029% *  0.4895% (0.25 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  15.31 +/- 2.94   0.019% *  0.1761% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 1 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 = 8.46:
          QD1   LEU  115 - QG2   VAL  107   3.65 +/- 0.50  99.309% * 97.7470% (0.38   1.31   8.46) =  99.984%  kept
          QG1   VAL   75 - QG2   VAL  107   9.72 +/- 1.01   0.691% *  2.2530% (0.57   0.02   0.02) =   0.016%
    Distance limit 3.57 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.862, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107  10.31 +/- 1.14  81.606% * 58.0948% (0.90   0.02   0.02) =  86.015%  kept
          QG2   ILE   19 - QG2   VAL  107  13.56 +/- 0.75  18.394% * 41.9052% (0.65   0.02   0.02) =  13.985%  kept
    Distance limit 3.26 A violated in 20 structures by 6.68 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   2.66 +/- 0.23  98.107% * 99.4123% (0.45  10.0 10.00   3.63  58.23) =  99.998%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.30 +/- 0.50   1.777% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL  107   9.53 +/- 1.09   0.069% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  10.71 +/- 1.18   0.044% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.07 +/- 0.76   0.003% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.379, support = 0.02, residual support = 0.922:
        T HB    ILE  119 - QG1   VAL  107   5.68 +/- 0.95  43.237% * 33.0939% (0.25 10.00   0.02   0.02) =  73.271%  kept
          HB2   PRO   93 - QG1   VAL  107   6.78 +/- 2.33  34.535% * 11.0857% (0.84  1.00   0.02   0.02) =  19.604%  kept
          HB    VAL  108 - QG1   VAL  107   5.98 +/- 0.32  19.329% *  5.9502% (0.45  1.00   0.02  15.34) =   5.889%  kept
          HG2   PRO   58 - QG1   VAL  107   9.32 +/- 1.08   2.271% *  8.5857% (0.65  1.00   0.02   0.02) =   0.999%  kept
          HG3   PRO   52 - QG1   VAL  107  11.82 +/- 1.18   0.352% *  8.5857% (0.65  1.00   0.02   0.02) =   0.155%
          HB2   ARG+  54 - QG1   VAL  107  13.22 +/- 0.90   0.179% *  6.9827% (0.53  1.00   0.02   0.02) =   0.064%
          HB2   GLN   30 - QG1   VAL  107  16.66 +/- 0.78   0.042% *  3.3094% (0.25  1.00   0.02   0.02) =   0.007%
          HB3   GLU- 100 - QG1   VAL  107  16.73 +/- 0.84   0.044% *  2.6265% (0.20  1.00   0.02   0.02) =   0.006%
          HB2   GLU-  14 - QG1   VAL  107  21.51 +/- 1.24   0.009% *  9.6374% (0.73  1.00   0.02   0.02) =   0.005%
          HG2   MET   11 - QG1   VAL  107  29.04 +/- 1.60   0.002% * 10.1428% (0.76  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 15 structures by 1.20 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.897, support = 1.11, residual support = 8.43:
          HA    LEU  115 - QG1   VAL  107   1.98 +/- 0.50  98.917% * 45.3913% (0.90   1.11   8.46) =  98.809%  kept
          HA    GLU- 114 - QG1   VAL  107   4.51 +/- 1.03   1.063% * 50.9252% (0.92   1.21   5.32) =   1.191%  kept
          HA    ARG+  54 - QG1   VAL  107  12.03 +/- 0.90   0.010% *  0.3113% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  14.91 +/- 0.87   0.002% *  0.9046% (0.99   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  12.43 +/- 0.81   0.006% *  0.2276% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  16.97 +/- 0.86   0.001% *  0.8946% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  16.90 +/- 0.93   0.001% *  0.7917% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.16 +/- 0.79   0.000% *  0.5536% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 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   2.28 +/- 0.28  99.689% * 99.4123% (0.45  10.0 10.00   4.31  58.23) = 100.000%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.44 +/- 0.75   0.293% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.43 +/- 1.11   0.011% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.68 +/- 1.34   0.006% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.37 +/- 0.72   0.001% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 0.513, residual support = 1.99:
          QD    PHE   59 - QG1   VAL  107   4.20 +/- 0.79  99.674% * 84.5300% (0.49   0.51   1.99) =  99.979%  kept
          HH2   TRP   49 - QG1   VAL  107  14.46 +/- 2.20   0.157% *  6.5278% (0.97   0.02   0.02) =   0.012%
          HE21  GLN   30 - QG1   VAL  107  15.38 +/- 1.04   0.085% *  5.6498% (0.84   0.02   0.02) =   0.006%
          HD1   TRP   27 - QG1   VAL  107  15.12 +/- 0.89   0.084% *  3.2924% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.11 A violated in 13 structures by 1.11 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 45.8:
          QD    PHE   95 - QG2   VAL  107   2.56 +/- 0.81  99.639% * 99.4875% (0.95   3.86  45.81) =  99.999%  kept
          HN    ALA   47 - QG2   VAL  107  10.30 +/- 0.79   0.099% *  0.4170% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   9.27 +/- 1.41   0.262% *  0.0956% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.892, support = 1.82, residual support = 8.4:
          HN    LEU  115 - QG2   VAL  107   3.59 +/- 0.52  95.461% * 81.3751% (0.90   1.82   8.46) =  99.273%  kept
          HN    ASP- 113 - QG2   VAL  107   6.41 +/- 0.54   3.137% * 17.7330% (0.28   1.28   0.02) =   0.711%  kept
          HN    PHE   97 - QG2   VAL  107   7.79 +/- 0.53   1.401% *  0.8919% (0.90   0.02   2.44) =   0.016%
    Distance limit 3.79 A violated in 0 structures by 0.12 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   3.50 +/- 0.17  99.295% * 99.3374% (0.57   3.64  15.34) =  99.995%  kept
          HN    VAL   43 - QG2   VAL  107   8.36 +/- 0.72   0.705% *  0.6626% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.2:
          HN    VAL  107 - QG1   VAL  107   3.04 +/- 0.40  99.986% * 99.4776% (0.99   3.84  58.23) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.28 +/- 1.10   0.014% *  0.5224% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.26 +/- 0.69 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 20 structures by 4.84 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   2.98 +/- 0.26  99.869% * 99.9027% (0.99  10.0   2.20   6.40) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  10.65 +/- 1.68   0.131% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.21:
      O   HN    GLY  109 - HA2   GLY  109   2.44 +/- 0.22  99.987% * 99.5895% (0.53  10.0   2.20   9.21) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  11.85 +/- 2.16   0.012% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.21 +/- 0.80   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  21.28 +/- 2.33   0.000% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.78 +/- 0.48  99.932% * 99.8788% (0.57  10.0   4.08  62.12) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  10.66 +/- 1.35   0.068% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.62:
          HN    GLY  109 - QG1   VAL  108   2.45 +/- 0.29  99.954% * 89.7984% (0.14   3.09   7.62) =  99.998%  kept
          HN    GLN   90 - QG1   VAL  108  10.12 +/- 2.11   0.036% *  3.7235% (0.87   0.02   0.02) =   0.001%
          HN    ILE  103 - QG1   VAL  108  13.10 +/- 0.78   0.005% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  16.91 +/- 2.36   0.002% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  20.71 +/- 2.57   0.004% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.58 +/- 0.06  99.745% * 99.4664% (0.57   4.52  62.12) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.36 +/- 1.14   0.255% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.68 +/- 0.61  99.676% * 99.4087% (0.57   4.08  62.12) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  108   8.49 +/- 1.10   0.324% *  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 = 0.799, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.72 +/- 1.25  90.992% * 32.6470% (0.80   0.02   0.02) =  91.420%  kept
          HN    SER   82 - QG2   VAL  108  17.08 +/- 2.54   6.671% * 28.0060% (0.69   0.02   0.02) =   5.749%  kept
          HN    GLY   16 - QG2   VAL  108  19.02 +/- 2.29   2.337% * 39.3470% (0.97   0.02   0.02) =   2.830%  kept
    Distance limit 4.23 A violated in 20 structures by 5.32 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.25 +/- 1.96 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.80 A violated in 20 structures by 11.45 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   4.64 +/- 0.11 100.000% *100.0000% (0.28   1.42   5.47) = 100.000%  kept
    Distance limit 3.95 A violated in 1 structures by 0.69 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.56, residual support = 314.9:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.62 +/- 0.15  98.886% * 98.2964% (0.69  10.0  1.00   6.56 314.94) =  99.999%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.69 +/- 1.72   0.274% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.40 +/- 0.76   0.787% *  0.0251% (0.18   1.0  1.00   0.02  28.51) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.49 +/- 2.63   0.032% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.40 +/- 1.78   0.008% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  13.67 +/- 1.71   0.006% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  15.15 +/- 1.45   0.003% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  17.77 +/- 2.79   0.002% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  17.52 +/- 1.60   0.002% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.17 +/- 2.60   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  23.37 +/- 2.86   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.09 +/- 2.58   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.16 +/- 1.99   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  28.22 +/- 2.37   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 3.16, residual support = 26.5:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.67 +/- 1.37  15.799% * 87.5097% (0.31  1.00   3.40  28.51) =  92.825%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.07 +/- 1.70  83.560% *  1.2729% (0.76  1.00   0.02   0.02) =   7.141%  kept
          QG2   THR   94 - HB3   LYS+ 111   8.61 +/- 1.66   0.599% *  0.4631% (0.28  1.00   0.02   0.02) =   0.019%
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.25 +/- 1.83   0.024% *  8.7628% (0.53 10.00   0.02   0.02) =   0.014%
          HG13  ILE  103 - HB3   LYS+ 111  15.62 +/- 2.46   0.015% *  1.6619% (1.00  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HB3   LYS+ 111  20.51 +/- 1.46   0.002% *  0.3296% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 314.9:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.95 +/- 0.15  97.778% * 99.9336% (0.97  10.0   6.96 314.94) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   6.48 +/- 1.81   2.178% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.04 +/- 1.27   0.044% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.49, residual support = 314.9:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.56 +/- 0.53  99.881% * 99.6823% (0.73  10.0   5.49 314.94) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.70 +/- 0.85   0.107% *  0.0468% (0.34   1.0   0.02   1.98) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  13.97 +/- 1.54   0.011% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  21.76 +/- 2.15   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.21 +/- 2.63   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 314.9:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.39 +/- 0.36  98.334% * 99.5678% (1.00  10.0   7.06 314.94) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.20 +/- 1.15   0.160% *  0.0834% (0.84   1.0   0.02   1.98) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   7.65 +/- 1.00   1.333% *  0.0031% (0.03   1.0   0.02   9.20) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.49 +/- 0.76   0.141% *  0.0146% (0.15   1.0   0.02   1.48) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.53 +/- 1.69   0.020% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  22.73 +/- 2.47   0.001% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  19.27 +/- 2.02   0.004% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.58 +/- 1.21   0.005% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  24.13 +/- 1.06   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.71 +/- 1.69   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  24.67 +/- 1.75   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.10 +/- 2.50   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.5, residual support = 314.9:
          HN    LYS+ 111 - HG2   LYS+ 111   3.03 +/- 0.62  99.808% * 94.2656% (0.18   6.50 314.94) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  10.56 +/- 1.16   0.112% *  0.8055% (0.49   0.02   1.98) =   0.001%
          QE    PHE   60 - HG2   LYS+ 111  14.50 +/- 2.74   0.056% *  0.5108% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  16.02 +/- 1.54   0.013% *  1.0038% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  20.38 +/- 4.50   0.008% *  1.4842% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  24.47 +/- 1.76   0.001% *  1.6403% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.50 +/- 2.52   0.002% *  0.2898% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 314.9:
          HN    LYS+ 111 - HG3   LYS+ 111   3.37 +/- 0.46  99.571% * 98.0217% (0.65   6.55 314.94) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  11.04 +/- 1.23   0.136% *  0.4465% (0.97   0.02   1.98) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  16.07 +/- 1.54   0.014% *  0.4616% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.49 +/- 1.50   0.121% *  0.0493% (0.11   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  20.40 +/- 4.57   0.012% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.86 +/- 1.39   0.045% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.02 +/- 0.83   0.041% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  13.64 +/- 1.31   0.032% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  21.70 +/- 2.34   0.002% *  0.2993% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.97 +/- 1.87   0.011% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  24.33 +/- 2.12   0.001% *  0.2619% (0.57   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  16.62 +/- 1.42   0.011% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  22.09 +/- 1.27   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.10 +/- 2.75   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.68, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.04 +/- 0.52  99.804% * 92.7548% (0.09   5.68  31.87) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.89 +/- 0.91   0.191% *  0.4044% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.33 +/- 1.27   0.003% *  3.0569% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.37 +/- 1.25   0.002% *  3.7839% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.749, support = 0.926, residual support = 2.83:
        T HB2   LEU  115 - HA    LYS+ 112   3.24 +/- 0.77  84.266% * 68.2844% (0.76 10.00   0.75   2.22) =  96.110%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.10 +/- 0.23   9.533% * 15.3277% (0.18  1.00   7.35  28.51) =   2.441%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.69 +/- 0.48   5.600% * 15.4730% (0.73  1.00   1.79   0.02) =   1.447%  kept
          HG3   PRO   58 - HA    LYS+ 112   8.71 +/- 1.69   0.585% *  0.1908% (0.80  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  17.27 +/- 1.13   0.006% *  0.0894% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  20.79 +/- 2.74   0.002% *  0.2067% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  22.66 +/- 1.21   0.001% *  0.1908% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  18.59 +/- 1.39   0.004% *  0.0417% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  22.25 +/- 1.45   0.001% *  0.0530% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.87 +/- 1.09   0.001% *  0.0530% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  29.62 +/- 1.44   0.000% *  0.0894% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.55, residual support = 6.09:
        T QD1   ILE   56 - HA    LYS+ 112   4.82 +/- 1.44  98.466% * 99.6637% (0.84 10.00   1.55   6.09) =  99.999%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.06 +/- 1.28   0.534% *  0.1425% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  12.23 +/- 0.66   0.864% *  0.0429% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  17.12 +/- 1.30   0.122% *  0.0874% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.43 +/- 1.16   0.014% *  0.0635% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 14 structures by 1.70 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 1.49, residual support = 2.13:
          QD    PHE   55 - HA    LYS+ 112   4.44 +/- 1.04  88.594% * 96.5138% (0.95   1.49   2.13) =  99.897%  kept
          QE    PHE   95 - HA    LYS+ 112   7.40 +/- 2.20  11.333% *  0.7745% (0.57   0.02   0.02) =   0.103%
          HE3   TRP   27 - HA    LYS+ 112  21.88 +/- 1.00   0.011% *  1.3409% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HA    LYS+ 112  17.38 +/- 1.45   0.053% *  0.2707% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  24.59 +/- 1.14   0.005% *  0.7197% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  26.31 +/- 2.04   0.003% *  0.3804% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 9 structures by 0.89 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.72, residual support = 231.7:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.79 +/- 0.06  99.982% * 99.7200% (0.92  10.0   5.72 231.71) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.58 +/- 1.85   0.014% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.88 +/- 1.14   0.003% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  20.11 +/- 1.31   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  38.77 +/- 1.59   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.22, residual support = 231.7:
          HN    LYS+ 112 - HG2   LYS+ 112   3.39 +/- 0.75  99.991% * 98.9759% (0.41   6.22 231.71) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  20.93 +/- 1.98   0.003% *  0.5919% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  18.67 +/- 1.90   0.006% *  0.2391% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  40.20 +/- 1.81   0.000% *  0.1931% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   7.95 +/- 1.73  51.792% * 30.2011% (0.90   0.02   0.02) =  64.900%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.36 +/- 1.70  41.600% * 17.7173% (0.53   0.02   0.02) =  30.581%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.65 +/- 1.73   5.969% * 15.0977% (0.45   0.02   0.02) =   3.739%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.75 +/- 1.52   0.597% * 31.0863% (0.92   0.02   0.02) =   0.770%  kept
          HN    LYS+  81 - HG2   LYS+ 112  26.87 +/- 2.38   0.042% *  5.8976% (0.18   0.02   0.02) =   0.010%
    Distance limit 4.01 A violated in 19 structures by 2.81 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.58, residual support = 231.7:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.34 +/- 0.37  99.983% * 93.9398% (0.20  10.0 10.00   4.58 231.71) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.59 +/- 1.68   0.014% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  18.36 +/- 1.26   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  15.98 +/- 1.77   0.003% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  25.29 +/- 2.77   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.91 +/- 1.44   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  34.96 +/- 1.85   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.7:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.74 +/- 0.35  99.957% * 93.9398% (0.20  10.0 10.00   4.65 231.71) =  99.998%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.95 +/- 1.92   0.037% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG3   LYS+ 112  18.25 +/- 1.50   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  15.87 +/- 1.92   0.005% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  25.01 +/- 3.31   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.88 +/- 1.75   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  35.03 +/- 2.22   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.441, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   9.28 +/- 2.47  90.083% *  6.9459% (0.28   0.02   0.02) =  73.970%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.79 +/- 2.73   7.410% * 24.1093% (0.97   0.02   0.02) =  21.121%  kept
          HN    LEU   67 - HG3   LYS+ 112  19.23 +/- 1.71   1.885% * 17.1603% (0.69   0.02   0.02) =   3.824%  kept
          HD2   HIS   22 - HG3   LYS+ 112  29.46 +/- 2.00   0.173% * 24.9820% (1.00   0.02   0.02) =   0.510%  kept
          HN    THR   23 - HG3   LYS+ 112  25.76 +/- 1.71   0.326% *  7.7106% (0.31   0.02   0.02) =   0.297%
          HD21  ASN   35 - HG3   LYS+ 112  31.45 +/- 2.51   0.123% * 19.0919% (0.76   0.02   0.02) =   0.279%
    Distance limit 4.15 A violated in 20 structures by 4.91 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.93, residual support = 231.7:
          HN    LYS+ 112 - HG3   LYS+ 112   3.02 +/- 0.62  99.995% * 98.9273% (0.41   5.93 231.71) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.85 +/- 1.82   0.002% *  0.6200% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  18.69 +/- 1.91   0.004% *  0.2504% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  40.42 +/- 2.14   0.000% *  0.2023% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.87, residual support = 231.7:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.42 +/- 0.13  99.982% * 95.1769% (0.20  10.0  1.00   3.87 231.71) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  12.51 +/- 2.69   0.016% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.20 +/- 1.32   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  16.93 +/- 2.08   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  25.92 +/- 3.42   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.89 +/- 1.86   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  35.92 +/- 2.60   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.7:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.71 +/- 0.19  99.983% * 99.7845% (0.85  10.0   5.53 231.71) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  12.97 +/- 1.32   0.010% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  14.20 +/- 1.61   0.007% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 231.7:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.35 +/- 0.14  99.987% * 98.0934% (0.19  10.0   2.96 231.71) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  12.28 +/- 2.38   0.012% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.15 +/- 0.97   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.23 +/- 1.53   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  26.26 +/- 2.95   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.99 +/- 1.53   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  35.83 +/- 2.35   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.58, residual support = 231.7:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.34 +/- 0.37  99.873% * 99.5374% (0.75  10.0 10.00   4.58 231.71) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.59 +/- 1.68   0.014% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.15 +/- 1.71   0.020% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.60 +/- 0.80   0.080% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.65 +/- 1.90   0.008% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  13.74 +/- 0.99   0.004% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.399, support = 0.0196, residual support = 5.42:
          QD1   ILE   56 - QE    LYS+ 112   5.67 +/- 1.51  63.244% *  9.8106% (0.44   0.02   6.09) =  88.941%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.93 +/- 0.54  25.406% *  2.0073% (0.09   0.02   0.02) =   7.310%  kept
          QG2   VAL   18 - HB3   ASP-  62   8.74 +/- 1.01   8.193% *  1.5685% (0.07   0.02   0.02) =   1.842%  kept
          QG2   THR   46 - QE    LYS+ 112  13.55 +/- 1.59   0.387% *  5.7554% (0.26   0.02   0.02) =   0.319%
          QD2   LEU   73 - HB3   ASP-  62  12.85 +/- 0.95   0.697% *  3.0550% (0.14   0.02   0.02) =   0.305%
          QG1   VAL   43 - QE    LYS+ 112  15.75 +/- 1.52   0.156% * 12.0629% (0.54   0.02   0.02) =   0.270%
          QG2   VAL   18 - QE    LYS+ 112  14.57 +/- 2.27   0.226% *  7.6660% (0.34   0.02   0.02) =   0.249%
          QD2   LEU   73 - QE    LYS+ 112  17.17 +/- 1.75   0.089% * 14.9314% (0.67   0.02   0.02) =   0.191%
          QG1   VAL   43 - HB3   ASP-  62  13.57 +/- 0.77   0.488% *  2.4681% (0.11   0.02   0.02) =   0.173%
          QG2   THR   46 - HB3   ASP-  62  12.59 +/- 1.03   0.776% *  1.1775% (0.05   0.02   0.02) =   0.131%
          QG1   VAL   41 - QE    LYS+ 112  18.83 +/- 1.64   0.052% * 15.5754% (0.70   0.02   0.02) =   0.115%
          QG1   VAL   41 - HB3   ASP-  62  15.14 +/- 0.77   0.243% *  3.1867% (0.14   0.02   0.02) =   0.111%
          HG    LEU   31 - QE    LYS+ 112  24.29 +/- 1.87   0.011% * 17.2134% (0.77   0.02   0.02) =   0.027%
          HG    LEU   31 - HB3   ASP-  62  21.23 +/- 1.38   0.032% *  3.5219% (0.16   0.02   0.02) =   0.016%
    Distance limit 3.66 A violated in 16 structures by 1.53 A, eliminated.
    Peak unassigned.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.7:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.74 +/- 0.35  92.677% * 99.5398% (0.81  10.0 10.00   4.65 231.71) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.79 +/- 0.88   7.139% *  0.0189% (0.15   1.0  1.00   0.02  42.37) =   0.001%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.95 +/- 1.92   0.030% *  0.2037% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QE    LYS+ 112  11.89 +/- 2.60   0.059% *  0.0925% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.56 +/- 1.36   0.043% *  0.0257% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.30 +/- 2.00   0.044% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  20.68 +/- 1.64   0.001% *  0.0788% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.79 +/- 1.27   0.002% *  0.0159% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.53 +/- 1.40   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  19.98 +/- 1.20   0.001% *  0.0161% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.479, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   7.38 +/- 1.03  17.683% * 59.7816% (0.51 10.00   0.02   0.02) =  85.724%  kept
          HG13  ILE  119 - QE    LYS+ 112   9.65 +/- 2.38  13.286% *  6.3761% (0.54  1.00   0.02   0.02) =   6.870%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.63 +/- 1.43  63.048% *  1.3045% (0.11  1.00   0.02   0.02) =   6.670%  kept
          QG2   VAL  107 - HB3   ASP-  62   8.90 +/- 1.46   5.243% *  1.2231% (0.10  1.00   0.02   0.02) =   0.520%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  15.81 +/- 1.78   0.153% *  8.2327% (0.70  1.00   0.02   0.02) =   0.102%
          QB    ALA   20 - QE    LYS+ 112  19.13 +/- 2.05   0.047% *  9.8344% (0.83  1.00   0.02   0.02) =   0.038%
          HG2   LYS+ 121 - HB3   ASP-  62  14.01 +/- 1.86   0.242% *  1.6844% (0.14  1.00   0.02   0.02) =   0.033%
          QB    ALA   20 - HB3   ASP-  62  15.00 +/- 1.20   0.191% *  2.0121% (0.17  1.00   0.02   0.02) =   0.031%
          HG13  ILE  103 - QE    LYS+ 112  19.05 +/- 1.58   0.038% *  1.9506% (0.17  1.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - QE    LYS+ 112  25.82 +/- 1.97   0.007% *  5.9782% (0.51  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB3   ASP-  62  18.46 +/- 1.24   0.047% *  0.3991% (0.03  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   ASP-  62  22.81 +/- 1.29   0.013% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 18 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 0.362, residual support = 2.11:
          QD    PHE   55 - QE    LYS+ 112   4.21 +/- 1.50  85.353% * 71.9115% (0.72   0.36   2.13) =  98.981%  kept
          QE    PHE   95 - HB3   ASP-  62   7.31 +/- 1.24   7.290% *  6.8453% (0.17   0.15   0.02) =   0.805%  kept
          QE    PHE   95 - QE    LYS+ 112   9.14 +/- 2.74   2.227% *  4.4548% (0.82   0.02   0.02) =   0.160%
          HN    LEU   67 - HB3   ASP-  62   8.11 +/- 0.85   4.434% *  0.6015% (0.11   0.02   0.02) =   0.043%
          QD    PHE   55 - HB3   ASP-  62  10.42 +/- 0.64   0.540% *  0.8066% (0.15   0.02   0.02) =   0.007%
          HD1   TRP   49 - QE    LYS+ 112  15.57 +/- 2.92   0.076% *  1.4027% (0.26   0.02   0.02) =   0.002%
          HN    LEU   67 - QE    LYS+ 112  17.34 +/- 2.36   0.030% *  2.9400% (0.54   0.02   0.02) =   0.001%
          HE3   TRP   27 - QE    LYS+ 112  21.64 +/- 1.92   0.005% *  3.6392% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  23.70 +/- 1.98   0.003% *  4.3860% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.60 +/- 0.94   0.012% *  0.7446% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  20.93 +/- 1.04   0.008% *  0.8974% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  20.04 +/- 2.26   0.014% *  0.2870% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  26.89 +/- 2.27   0.002% *  0.8994% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  22.99 +/- 1.68   0.005% *  0.1840% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 4 structures by 0.52 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 3.28, residual support = 21.7:
          HN    GLU- 114 - QB    ASP- 113   2.57 +/- 0.29  97.763% * 78.1052% (0.84   3.29  21.85) =  99.469%  kept
          HN    GLN  116 - QB    ASP- 113   5.12 +/- 0.19   1.946% * 20.8644% (0.98   0.75   1.50) =   0.529%  kept
          HN    THR  118 - QB    ASP- 113   7.22 +/- 0.58   0.284% *  0.4545% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.79 +/- 0.66   0.007% *  0.3214% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.30 +/- 1.26   0.000% *  0.2545% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.44, residual support = 14.3:
      O   HN    ASP- 113 - QB    ASP- 113   2.18 +/- 0.15  99.999% * 99.9821% (0.98  10.0   3.44  14.32) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.23 +/- 1.56   0.001% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.412, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.87 +/- 1.00  97.548% * 39.4133% (0.41 10.00   0.02   0.02) =  98.936%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.07 +/- 1.41   0.708% * 50.4393% (0.53 10.00   0.02   0.02) =   0.919%  kept
          HB    ILE   89 - HA    ASP- 113  23.31 +/- 2.18   0.449% *  8.8499% (0.92  1.00   0.02   0.02) =   0.102%
          HB    VAL   43 - HA    ASP- 113  18.94 +/- 1.00   1.295% *  1.2975% (0.14  1.00   0.02   0.02) =   0.043%
    Distance limit 3.61 A violated in 20 structures by 5.25 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 = 49.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  56.435% * 54.8041% (0.84  10.0   3.61  44.28) =  88.193%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.02  12.388% * 29.5977% (0.45  10.0   7.56 102.24) =  10.455%  kept
          HN    GLN  116 - HA    GLU- 114   4.47 +/- 0.31   3.807% *  9.9098% (0.98   1.0   3.08   0.37) =   1.076%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.13   1.610% *  5.5145% (0.38   1.0   4.37  15.18) =   0.253%
          HN    THR  118 - HA    LEU  115   3.43 +/- 0.28  18.806% *  0.0242% (0.37   1.0   0.02   0.02) =   0.013%
          HN    THR  118 - HA    GLU- 114   4.47 +/- 0.86   6.861% *  0.0525% (0.80   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   8.59 +/- 0.90   0.086% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.01 +/- 0.69   0.006% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.79 +/- 1.41   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.35 +/- 1.71   0.000% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 6.71, residual support = 159.9:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.05  79.804% * 31.4756% (0.41  10.0   7.57 228.22) =  67.916%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.04  17.349% * 68.3936% (0.90  10.0   4.90  15.18) =  32.082%  kept
          HN    ASP- 113 - HA    GLU- 114   5.02 +/- 0.13   2.330% *  0.0212% (0.28   1.0   0.02  21.85) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.57 +/- 0.27   0.469% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.43 +/- 0.73   0.033% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.69 +/- 1.75   0.015% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 3.92, residual support = 44.3:
      O   HN    GLU- 114 - QB    GLU- 114   2.30 +/- 0.25  97.128% * 99.6664% (0.81  10.0   3.92  44.28) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   5.07 +/- 0.86   1.743% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   5.02 +/- 0.27   1.118% *  0.1170% (0.95   1.0   0.02   0.37) =   0.001%
          HN    PHE   60 - QB    GLU- 114  11.26 +/- 1.10   0.011% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.15 +/- 1.82   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.85, support = 4.78, residual support = 15.4:
          HN    LEU  115 - QB    GLU- 114   3.00 +/- 0.39  88.571% * 82.5978% (0.87   4.83  15.18) =  97.418%  kept
          HN    ASP- 113 - QB    GLU- 114   4.43 +/- 0.32  11.365% * 17.0599% (0.27   3.22  21.85) =   2.582%  kept
          HN    PHE   97 - QB    GLU- 114  10.67 +/- 1.78   0.064% *  0.3423% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.32, residual support = 42.6:
          HN    GLU- 114 - QG    GLU- 114   2.62 +/- 0.53  89.300% * 52.4355% (0.83   4.36  44.28) =  96.088%  kept
          HN    GLN  116 - QG    GLU- 114   5.16 +/- 0.74   4.020% * 47.0420% (0.98   3.33   0.37) =   3.881%  kept
          HN    THR  118 - QG    GLU- 114   5.33 +/- 1.05   6.647% *  0.2305% (0.80   0.02   0.02) =   0.031%
          HN    PHE   60 - QG    GLU- 114  11.16 +/- 1.07   0.031% *  0.1630% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  18.11 +/- 1.82   0.002% *  0.1290% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.17, residual support = 15.2:
          HN    LEU  115 - QG    GLU- 114   3.13 +/- 0.94  99.526% * 98.3709% (0.45   5.17  15.18) =  99.998%  kept
          HN    PHE   97 - QG    GLU- 114  10.55 +/- 1.92   0.472% *  0.3803% (0.45   0.02   0.02) =   0.002%
          HN    ASN   35 - QG    GLU- 114  23.29 +/- 1.95   0.002% *  0.4463% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  32.68 +/- 1.76   0.000% *  0.8025% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 0.575, residual support = 5.11:
          QG1   VAL  107 - QG    GLU- 114   3.53 +/- 1.25  89.068% * 71.5580% (0.98   0.59   5.32) =  96.091%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.56 +/- 1.78  10.552% * 24.5500% (0.83   0.24   0.02) =   3.906%  kept
          HG13  ILE  119 - QG    GLU- 114   8.94 +/- 1.28   0.363% *  0.5518% (0.22   0.02   0.02) =   0.003%
          QG1   VAL   24 - QG    GLU- 114  16.88 +/- 2.19   0.008% *  2.2881% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  17.53 +/- 1.65   0.007% *  0.4341% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.94 +/- 2.15   0.002% *  0.6181% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.74, residual support = 5.32:
        T QG2   VAL  107 - QB    GLU- 114   3.78 +/- 0.74  98.349% * 99.3804% (0.59 10.00   1.74   5.32) =  99.998%  kept
          HG13  ILE  119 - QB    GLU- 114   8.76 +/- 0.81   1.147% *  0.1220% (0.62  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QB    GLU- 114  10.52 +/- 1.88   0.404% *  0.1576% (0.81  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  12.72 +/- 2.00   0.087% *  0.0373% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.87 +/- 1.29   0.008% *  0.1882% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.12 +/- 1.88   0.004% *  0.1144% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 7 structures by 0.80 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 228.2:
      O T HA    LEU  115 - HB3   LEU  115   2.30 +/- 0.14  99.615% * 97.8960% (0.92  10.0 10.00   6.29 228.22) =  99.999%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.38 +/- 0.30   0.288% *  0.4755% (0.45   1.0 10.00   0.02  15.18) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.36 +/- 0.73   0.008% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.16 +/- 0.63   0.058% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.30 +/- 1.13   0.002% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.31 +/- 1.58   0.018% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  15.94 +/- 0.79   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.24 +/- 1.73   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  14.36 +/- 2.86   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.44 +/- 0.65   0.002% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.53 +/- 1.24   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.42 +/- 1.18   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.20 +/- 1.39   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.93 +/- 0.85   0.000% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.57 +/- 0.68   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.06 +/- 0.70   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  23.22 +/- 2.00   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.51 +/- 0.93   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.25 +/- 0.96   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  26.93 +/- 1.65   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 228.2:
      O T QD1   LEU  115 - HB3   LEU  115   2.52 +/- 0.25  99.985% * 99.7570% (0.87  10.0 10.00   6.14 228.22) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.41 +/- 1.27   0.009% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  14.90 +/- 1.00   0.003% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.52 +/- 0.75   0.003% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.34, residual support = 228.2:
      O T QD2   LEU  115 - HB3   LEU  115   2.58 +/- 0.40  90.635% * 98.9032% (0.45  10.0 10.00   7.34 228.22) =  99.992%  kept
          QD1   LEU   63 - HB3   LEU  115   5.81 +/- 1.51   3.265% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB3   LEU  115   7.27 +/- 1.38   0.369% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   5.14 +/- 1.16   4.057% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   7.16 +/- 1.20   0.699% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.26 +/- 0.51   0.611% *  0.0097% (0.04   1.0  1.00   0.02  20.83) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.73 +/- 1.19   0.114% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.91 +/- 0.84   0.082% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.48 +/- 1.44   0.009% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.90 +/- 0.51   0.138% *  0.0058% (0.03   1.0  1.00   0.02  10.58) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  14.97 +/- 1.08   0.003% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  12.91 +/- 0.89   0.007% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  14.52 +/- 0.79   0.004% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.15 +/- 1.23   0.004% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  18.59 +/- 3.33   0.001% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  20.02 +/- 3.15   0.001% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  18.75 +/- 3.88   0.001% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  20.21 +/- 3.82   0.001% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.959, support = 7.87, residual support = 95.6:
          HN    GLN  116 - HB3   LEU  115   3.97 +/- 0.24  45.319% * 69.6011% (0.98   8.25 102.24) =  92.749%  kept
          HN    GLU- 114 - HB3   LEU  115   5.70 +/- 0.59   6.761% * 25.0573% (0.84   3.49  15.18) =   4.982%  kept
          HN    LEU   71 - HB3   LEU   40   4.44 +/- 1.22  37.710% *  1.1433% (0.05   2.53   1.44) =   1.268%  kept
          HN    THR  118 - HB3   LEU  115   5.35 +/- 0.36   8.563% *  3.9595% (0.80   0.57   0.02) =   0.997%  kept
          HN    PHE   60 - HB3   LEU  115   7.08 +/- 0.94   1.594% *  0.0974% (0.57   0.02   0.02) =   0.005%
          HN    LEU   71 - HB3   LEU  115  17.15 +/- 1.39   0.009% *  0.0771% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  14.49 +/- 1.21   0.020% *  0.0162% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.19 +/- 1.25   0.015% *  0.0114% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.53 +/- 1.10   0.006% *  0.0198% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.82 +/- 1.42   0.003% *  0.0169% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.48, residual support = 228.2:
      O   HN    LEU  115 - HB3   LEU  115   3.21 +/- 0.44  98.098% * 99.8421% (0.90  10.0   7.48 228.22) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.43 +/- 0.80   1.600% *  0.0310% (0.28   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   LEU  115  11.53 +/- 0.92   0.067% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.30 +/- 1.04   0.229% *  0.0117% (0.11   1.0   0.02   1.46) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.85 +/- 1.14   0.004% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.44 +/- 1.11   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.22:
        T HA    LYS+ 112 - HB2   LEU  115   3.24 +/- 0.77  99.908% * 99.6055% (0.69 10.00   0.75   2.22) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.63 +/- 0.70   0.055% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.89 +/- 1.23   0.036% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  26.24 +/- 1.26   0.001% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.942, support = 1.7, residual support = 4.62:
          QE    PHE   95 - HB2   LEU  115   5.08 +/- 1.94  70.810% * 43.8969% (0.98   1.50   4.59) =  66.415%  kept
          QD    PHE   55 - HB2   LEU  115   6.28 +/- 0.97  28.913% * 54.3600% (0.87   2.10   4.69) =  33.583%  kept
          HN    LEU   67 - HB2   LEU  115  15.45 +/- 1.51   0.146% *  0.3863% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU  115  17.43 +/- 2.60   0.087% *  0.1843% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.44 +/- 1.03   0.028% *  0.4781% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  22.47 +/- 1.14   0.011% *  0.5763% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  26.06 +/- 1.49   0.004% *  0.1182% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 7 structures by 0.80 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.781, support = 7.42, residual support = 98.5:
          HN    GLN  116 - HB2   LEU  115   3.46 +/- 0.39  78.890% * 80.8516% (0.80   7.57 102.24) =  95.716%  kept
          HN    GLU- 114 - HB2   LEU  115   4.67 +/- 0.43  15.329% * 18.5256% (0.34   4.07  15.18) =   4.261%  kept
          HN    THR  118 - HB2   LEU  115   5.61 +/- 0.30   4.935% *  0.2614% (0.98   0.02   0.02) =   0.019%
          HN    PHE   60 - HB2   LEU  115   7.90 +/- 0.80   0.845% *  0.2614% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  24.53 +/- 1.19   0.001% *  0.1001% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.19 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   2.32 +/- 0.40  99.054% * 99.8692% (0.90  10.0   7.37 228.22) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.24 +/- 0.71   0.937% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.32 +/- 0.81   0.009% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.496, support = 5.49, residual support = 71.2:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  56.350% * 15.9032% (0.19  10.0   3.61  44.28) =  50.564%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.02  12.368% * 68.2100% (0.82  10.0   7.56 102.24) =  47.602%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.13   1.607% * 12.7085% (0.70   1.0   4.37  15.18) =   1.153%  kept
          HN    GLN  116 - HA    GLU- 114   4.47 +/- 0.31   3.801% *  2.8757% (0.22   1.0   3.08   0.37) =   0.617%  kept
          HN    THR  118 - HA    LEU  115   3.43 +/- 0.28  18.777% *  0.0557% (0.67   1.0   0.02   0.02) =   0.059%
          HN    THR  118 - HA    GLU- 114   4.47 +/- 0.86   6.852% *  0.0152% (0.18   1.0   0.02   0.02) =   0.006%
          HN    PHE   60 - HA    LEU  115   8.59 +/- 0.90   0.086% *  0.0394% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   7.77 +/- 0.52   0.140% *  0.0221% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.78 +/- 0.87   0.005% *  0.0382% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.90 +/- 0.71   0.003% *  0.0326% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.01 +/- 0.69   0.006% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.18 +/- 1.04   0.002% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.79 +/- 1.41   0.001% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.49 +/- 1.26   0.000% *  0.0175% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.35 +/- 1.71   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.719, support = 7.42, residual support = 216.3:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.05  79.794% * 78.3350% (0.75  10.0   7.57 228.22) =  94.385%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.04  17.347% * 21.4329% (0.20  10.0   4.90  15.18) =   5.614%  kept
          HN    ASP- 113 - HA    GLU- 114   5.02 +/- 0.13   2.330% *  0.0066% (0.06   1.0   0.02  21.85) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.57 +/- 0.27   0.469% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.43 +/- 0.73   0.033% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.69 +/- 1.75   0.015% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.31 +/- 0.63   0.007% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.04 +/- 0.95   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.38 +/- 1.26   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.778, support = 7.54, residual support = 228.2:
          HN    LEU  115 - HG    LEU  115   3.22 +/- 0.74  92.492% * 99.4473% (0.78   7.54 228.22) =  99.993%  kept
          HN    ASP- 113 - HG    LEU  115   5.36 +/- 1.13   4.822% *  0.0818% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   7.68 +/- 1.19   2.613% *  0.0896% (0.26   0.02   1.46) =   0.003%
          HN    PHE   97 - HG    LEU  115  13.33 +/- 1.01   0.059% *  0.2639% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.68 +/- 1.16   0.010% *  0.0896% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.26 +/- 1.16   0.003% *  0.0278% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.14 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  10.72 +/- 1.22 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.77 A violated in 20 structures by 6.96 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.809, support = 1.68, residual support = 4.66:
          QD    PHE   55 - QD1   LEU  115   4.02 +/- 1.02  47.181% * 65.4520% (0.95   1.78   4.69) =  63.940%  kept
          QE    PHE   95 - QD1   LEU  115   4.52 +/- 2.21  52.763% * 33.0071% (0.57   1.50   4.59) =  36.059%  kept
          HN    LEU   67 - QD1   LEU  115  12.53 +/- 1.34   0.045% *  0.1538% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.59 +/- 1.21   0.006% *  0.7619% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  18.71 +/- 1.28   0.003% *  0.4090% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  20.70 +/- 1.72   0.002% *  0.2161% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.22 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.98, residual support = 28.1:
          QD    PHE   59 - QD1   LEU  115   3.12 +/- 0.80  99.412% * 98.5630% (0.95   3.98  28.15) =  99.997%  kept
          HH2   TRP   49 - QD1   LEU  115  12.77 +/- 2.55   0.577% *  0.4370% (0.84   0.02   0.02) =   0.003%
          HE21  GLN   30 - QD1   LEU  115  17.55 +/- 1.43   0.006% *  0.5050% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  18.02 +/- 1.26   0.005% *  0.4950% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.0199, residual support = 4.57:
          QD    PHE   95 - QD2   LEU  115   5.04 +/- 1.22  99.032% * 75.7271% (0.84   0.02   4.59) =  99.688%  kept
          HN    ALA   47 - QD2   LEU  115  12.12 +/- 1.02   0.968% * 24.2729% (0.27   0.02   0.02) =   0.312%
    Distance limit 3.38 A violated in 15 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.85, residual support = 28.1:
          QE    PHE   59 - QD2   LEU  115   2.63 +/- 0.61  88.178% * 82.8158% (0.89   2.91  28.15) =  97.465%  kept
          HN    PHE   59 - QD2   LEU  115   4.85 +/- 1.17  11.578% * 16.4004% (0.93   0.55  28.15) =   2.534%  kept
          HN    HIS  122 - QD2   LEU  115   7.84 +/- 0.95   0.176% *  0.2763% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  115   9.68 +/- 1.39   0.067% *  0.2763% (0.43   0.02   0.02) =   0.000%
          HH2   TRP   87 - QD2   LEU  115  20.35 +/- 2.71   0.001% *  0.2313% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.97, residual support = 14.3:
        T QD1   ILE  119 - HA    GLN  116   3.32 +/- 0.69  99.228% * 99.5742% (0.61 10.00   3.97  14.34) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  11.06 +/- 2.53   0.294% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  10.91 +/- 1.24   0.311% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.67 +/- 1.00   0.067% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  13.39 +/- 1.08   0.046% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.16 +/- 0.61   0.044% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.21 +/- 1.80   0.005% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.90 +/- 1.48   0.005% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 2 structures by 0.33 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 102.2:
          QD2   LEU  115 - HA    GLN  116   2.25 +/- 0.64  97.808% * 98.5633% (0.92   6.30 102.24) =  99.993%  kept
          QD1   LEU   63 - HA    GLN  116   6.77 +/- 1.35   1.680% *  0.3320% (0.98   0.02   0.02) =   0.006%
          QD2   LEU   63 - HA    GLN  116   7.13 +/- 1.35   0.500% *  0.1518% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    GLN  116  12.59 +/- 1.17   0.007% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.19 +/- 1.16   0.002% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  22.01 +/- 3.21   0.001% *  0.3038% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  20.99 +/- 2.20   0.001% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.06 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.43, residual support = 14.3:
          HN    ILE  119 - HA    GLN  116   3.39 +/- 0.38  99.997% * 97.0772% (0.57   2.43  14.34) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.56 +/- 1.10   0.001% *  1.3625% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  24.28 +/- 1.76   0.001% *  0.4816% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  26.74 +/- 1.19   0.000% *  0.7993% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.13 +/- 1.38   0.001% *  0.2794% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.99, residual support = 122.6:
      O   HN    GLN  116 - HA    GLN  116   2.73 +/- 0.04  92.031% * 90.2648% (0.98  10.0   7.03 123.66) =  99.142%  kept
          HN    THR  118 - HA    GLN  116   4.29 +/- 0.48   7.516% *  9.5649% (0.80   1.0   2.59   0.02) =   0.858%  kept
          HN    GLU- 114 - HA    GLN  116   6.87 +/- 0.25   0.377% *  0.0769% (0.84   1.0   0.02   0.37) =   0.000%
          HN    PHE   60 - HA    GLN  116   9.28 +/- 0.94   0.074% *  0.0521% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  17.73 +/- 1.72   0.002% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.16 +/- 0.57  99.376% * 66.5564% (0.49  1.00   0.75   1.50) =  99.956%  kept
          HA    ILE   56 - HB2   GLN  116   9.09 +/- 1.17   0.515% *  3.5189% (0.97  1.00   0.02   0.02) =   0.027%
        T HA    PRO   58 - HB2   GLN  116  12.35 +/- 1.41   0.060% * 14.9903% (0.41 10.00   0.02   0.02) =   0.014%
          HA    LEU  123 - HB2   GLN  116  12.58 +/- 0.83   0.043% *  3.6382% (1.00  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   GLN  116  20.75 +/- 1.28   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.24 +/- 1.15   0.003% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.49 +/- 1.61   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  24.80 +/- 1.40   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  30.84 +/- 1.65   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.03, residual support = 102.2:
          QD2   LEU  115 - HB2   GLN  116   3.53 +/- 0.58  98.410% * 97.5359% (0.45   7.03 102.24) =  99.992%  kept
          QD1   LEU   63 - HB2   GLN  116   8.79 +/- 1.40   0.933% *  0.4959% (0.80   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB2   GLN  116   9.30 +/- 1.34   0.597% *  0.5717% (0.92   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB2   GLN  116  14.10 +/- 1.03   0.034% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  18.92 +/- 1.03   0.006% *  0.4959% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  17.98 +/- 0.91   0.007% *  0.2324% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.48 +/- 1.07   0.009% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  23.20 +/- 3.14   0.003% *  0.2546% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  24.67 +/- 2.96   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 102.2:
          QD2   LEU  115 - HG2   GLN  116   2.73 +/- 0.69  97.950% * 98.7964% (1.00   7.00 102.24) =  99.997%  kept
          QD1   LEU   63 - HG2   GLN  116   7.89 +/- 1.48   1.129% *  0.2358% (0.84   0.02   0.02) =   0.003%
          QD2   LEU   63 - HG2   GLN  116   8.36 +/- 1.58   0.902% *  0.0704% (0.25   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG2   GLN  116  14.10 +/- 1.29   0.012% *  0.2532% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.33 +/- 1.31   0.003% *  0.2358% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  22.63 +/- 2.92   0.002% *  0.2817% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  21.71 +/- 2.21   0.002% *  0.1266% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.38, residual support = 123.7:
      O   HE21  GLN  116 - HG2   GLN  116   2.58 +/- 0.50  97.774% * 99.6673% (0.65  10.0   4.38 123.66) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   5.90 +/- 0.92   2.152% *  0.0428% (0.28   1.0   0.02   0.28) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.77 +/- 1.39   0.073% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  26.08 +/- 3.10   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  28.66 +/- 2.39   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.39, residual support = 123.6:
          HN    GLN  116 - HG2   GLN  116   3.19 +/- 0.52  95.845% * 99.1032% (0.80   7.39 123.66) =  99.988%  kept
          HN    THR  118 - HG2   GLN  116   6.10 +/- 0.56   2.798% *  0.3284% (0.98   0.02   0.02) =   0.010%
          HN    GLU- 114 - HG2   GLN  116   6.97 +/- 0.99   1.175% *  0.1143% (0.34   0.02   0.37) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.79 +/- 1.12   0.182% *  0.3284% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  24.67 +/- 2.17   0.001% *  0.1257% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.627, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   8.96 +/- 1.20  45.278% * 15.3326% (0.76   0.02   0.02) =  63.493%  kept
          QD    PHE   55 - HB2   GLN  116   8.64 +/- 1.12  52.561% *  6.8436% (0.34   0.02   0.02) =  32.898%  kept
          HN    LEU   67 - HB2   GLN  116  16.23 +/- 1.67   1.607% * 20.0629% (1.00   0.02   0.02) =   2.949%  kept
          HD1   TRP   49 - HB2   GLN  116  22.07 +/- 2.51   0.289% * 16.7579% (0.84   0.02   0.02) =   0.442%
          HN    THR   23 - HB2   GLN  116  26.93 +/- 1.10   0.060% * 16.0651% (0.80   0.02   0.02) =   0.089%
          HE3   TRP   27 - HB2   GLN  116  23.84 +/- 0.92   0.126% *  5.5782% (0.28   0.02   0.02) =   0.064%
          HD2   HIS   22 - HB2   GLN  116  30.14 +/- 1.34   0.031% * 13.7814% (0.69   0.02   0.02) =   0.039%
          HD21  ASN   35 - HB2   GLN  116  28.99 +/- 2.17   0.048% *  5.5782% (0.28   0.02   0.02) =   0.024%
    Distance limit 3.72 A violated in 20 structures by 3.94 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.64, residual support = 123.7:
      O   HN    GLN  116 - HB2   GLN  116   2.15 +/- 0.13  98.851% * 99.7303% (0.98  10.0   7.64 123.66) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.19 +/- 0.35   0.586% *  0.0850% (0.84   1.0   0.02   0.37) =   0.001%
          HN    THR  118 - HB2   GLN  116   5.29 +/- 0.37   0.557% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  11.15 +/- 1.00   0.006% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.25 +/- 1.61   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 = 4.91, residual support = 27.9:
          HN    SER  117 - HB2   GLN  116   3.14 +/- 0.34  99.999% * 99.5627% (0.98   4.91  27.87) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  22.48 +/- 1.35   0.001% *  0.3453% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  30.11 +/- 2.13   0.000% *  0.0920% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 27.9:
      O   HN    SER  117 - HA    GLN  116   3.58 +/- 0.05  99.996% * 99.8922% (0.98  10.0   4.91  27.87) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  19.83 +/- 1.33   0.004% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  29.03 +/- 2.09   0.000% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 2.06, residual support = 5.54:
        T QB    ALA  120 - HA    SER  117   3.02 +/- 0.42  91.599% * 98.3552% (0.92 10.00   2.06   5.54) =  99.922%  kept
          HD2   LYS+ 121 - HA    SER  117   6.04 +/- 2.01   7.505% *  0.9321% (0.18  1.00   1.00   0.02) =   0.078%
          HG    LEU  115 - HA    SER  117   7.62 +/- 0.73   0.546% *  0.0984% (0.92  1.00   0.02   2.16) =   0.001%
          HB3   LEU  115 - HA    SER  117   8.05 +/- 0.22   0.324% *  0.0400% (0.38  1.00   0.02   2.16) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.23 +/- 1.42   0.005% *  0.1065% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    SER  117  15.41 +/- 2.80   0.009% *  0.0519% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.31 +/- 1.68   0.008% *  0.0400% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.96 +/- 0.79   0.000% *  0.2962% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.84 +/- 1.61   0.003% *  0.0237% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.92 +/- 1.01   0.001% *  0.0561% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 1.37, residual support = 15.8:
          HN    ALA  120 - HA    SER  117   3.60 +/- 0.25  88.423% * 13.0002% (0.28   0.75   5.54) =  54.018%  kept
          HE21  GLN  116 - HA    SER  117   5.74 +/- 1.25  11.559% * 84.6538% (0.65   2.10  27.87) =  45.981%  kept
          HN    ALA   57 - HA    SER  117  15.31 +/- 0.93   0.017% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  28.26 +/- 2.27   0.000% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  26.53 +/- 2.36   0.001% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.56, residual support = 15.1:
      O   HN    SER  117 - HA    SER  117   2.78 +/- 0.05  99.999% * 99.9049% (0.57  10.0   3.56  15.13) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.79 +/- 1.29   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.65 +/- 0.98   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.178, support = 0.0199, residual support = 0.0199:
          HN    LYS+  81 - QB    SER   85   6.21 +/- 0.34  65.592% *  3.4992% (0.12   0.02   0.02) =  53.400%  kept
          HN    LYS+  81 - QB    SER   48   9.36 +/- 2.06  12.310% *  5.8981% (0.20   0.02   0.02) =  16.892%  kept
          QE    PHE   95 - QB    SER  117   8.28 +/- 0.75  12.640% *  4.5788% (0.15   0.02   0.02) =  13.465%  kept
          QD    PHE   55 - QB    SER  117  10.78 +/- 0.86   2.619% * 14.4446% (0.49   0.02   0.02) =   8.803%  kept
          QD    PHE   60 - QB    SER  117  12.37 +/- 1.16   1.249% * 12.2000% (0.41   0.02   0.02) =   3.546%  kept
          QD    PHE   60 - QB    SER   48  11.58 +/- 1.10   2.012% *  3.1728% (0.11   0.02   0.02) =   1.485%  kept
          HE3   TRP   27 - QB    SER   85  13.66 +/- 2.57   1.083% *  2.5923% (0.09   0.02   0.02) =   0.653%  kept
          QD    PHE   55 - QB    SER   48  13.32 +/- 0.46   0.684% *  3.7566% (0.13   0.02   0.02) =   0.598%  kept
          HE3   TRP   27 - QB    SER   48  14.32 +/- 1.04   0.513% *  4.3694% (0.15   0.02   0.02) =   0.521%  kept
          QE    PHE   95 - QB    SER   48  13.48 +/- 1.82   0.919% *  1.1908% (0.04   0.02   0.02) =   0.254%
          HE3   TRP   27 - QB    SER  117  20.32 +/- 1.25   0.056% * 16.8009% (0.57   0.02   0.02) =   0.218%
          HN    LYS+  81 - QB    SER  117  26.88 +/- 2.11   0.012% * 22.6789% (0.76   0.02   0.02) =   0.061%
          QD    PHE   60 - QB    SER   85  17.83 +/- 0.78   0.127% *  1.8824% (0.06   0.02   0.02) =   0.055%
          QD    PHE   55 - QB    SER   85  20.54 +/- 1.60   0.049% *  2.2287% (0.08   0.02   0.02) =   0.025%
          QE    PHE   95 - QB    SER   85  18.02 +/- 1.63   0.136% *  0.7065% (0.02   0.02   0.02) =   0.022%
    Distance limit 3.77 A violated in 19 structures by 1.97 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.78, residual support = 37.0:
      O T QG2   THR  118 - HB    THR  118   2.17 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.78  37.04) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.956, support = 1.6, residual support = 6.64:
          QG1   VAL  107 - HB    THR  118   2.03 +/- 0.89  95.411% * 58.0288% (0.98   1.50   5.52) =  96.779%  kept
          HG13  ILE  119 - HB    THR  118   5.72 +/- 0.57   4.578% * 40.2481% (0.22   4.58  40.21) =   3.221%  kept
          HD3   LYS+ 112 - HB    THR  118  10.85 +/- 1.33   0.009% *  0.6593% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  17.59 +/- 1.76   0.001% *  0.7287% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  18.27 +/- 1.33   0.000% *  0.1382% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.21 +/- 1.45   0.000% *  0.1968% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.525, support = 1.65, residual support = 9.3:
          QE    PHE   59 - HB    THR  118   4.01 +/- 1.47  89.202% * 31.9431% (0.45   1.69  10.45) =  83.372%  kept
          HN    HIS  122 - HB    THR  118   6.93 +/- 0.29   9.977% * 56.0396% (0.92   1.44   3.57) =  16.359%  kept
          HN    PHE   59 - HB    THR  118   9.79 +/- 1.16   0.814% * 11.2864% (0.84   0.32  10.45) =   0.269%
          HH2   TRP   87 - HB    THR  118  22.22 +/- 3.70   0.008% *  0.7308% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 6 structures by 0.55 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.63, residual support = 37.0:
      O   HN    THR  118 - HB    THR  118   2.09 +/- 0.08  99.396% * 99.7459% (0.98  10.0   3.63  37.04) = 100.000%  kept
          HN    GLN  116 - HB    THR  118   5.24 +/- 0.48   0.477% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB    THR  118   6.79 +/- 0.93   0.115% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.79 +/- 1.11   0.012% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.13 +/- 1.62   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.78, residual support = 37.0:
      O T QG2   THR  118 - HA    THR  118   2.82 +/- 0.19 100.000% *100.0000% (0.14  10.0 10.00   3.78  37.04) = 100.000%  kept
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.859, support = 0.0199, residual support = 39.9:
        T QG2   ILE  119 - HA    THR  118   6.03 +/- 0.05  82.542% * 82.9340% (0.87 10.00   0.02  40.21) =  99.254%  kept
          QD1   ILE  103 - HA    THR  118  10.68 +/- 1.49   3.350% *  7.1780% (0.75  1.00   0.02   0.02) =   0.349%
          QG2   ILE  103 - HA    THR  118   8.54 +/- 1.28  12.722% *  1.5050% (0.16  1.00   0.02   0.02) =   0.278%
          QD2   LEU   71 - HA    THR  118  15.05 +/- 2.48   1.295% *  6.2402% (0.65  1.00   0.02   0.02) =   0.117%
          HG3   LYS+  74 - HA    THR  118  19.07 +/- 1.24   0.091% *  2.1428% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.13 A violated in 20 structures by 2.90 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.725, support = 2.2, residual support = 13.4:
          QG1   VAL  107 - HA    THR  118   4.10 +/- 0.98  91.061% * 24.6419% (0.88  1.00   1.50   5.52) =  77.315%  kept
        T HG13  ILE  119 - HA    THR  118   6.50 +/- 0.39   8.822% * 74.6264% (0.20 10.00   4.58  40.21) =  22.684%  kept
          HD3   LYS+ 112 - HA    THR  118  13.00 +/- 1.40   0.092% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  18.54 +/- 1.87   0.011% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.00 +/- 1.80   0.006% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  19.14 +/- 1.57   0.008% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.50 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.499, support = 2.33, residual support = 7.8:
        T HB3   LYS+ 121 - HA    THR  118   3.56 +/- 0.44  42.487% * 64.6908% (0.22 10.00   2.09   7.80) =  58.590%  kept
          HD2   LYS+ 121 - HA    THR  118   3.43 +/- 1.29  56.831% * 34.1797% (0.89  1.00   2.66   7.80) =  41.408%  kept
          QD    LYS+  66 - HA    THR  118  11.68 +/- 3.22   0.435% *  0.1884% (0.65  1.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    THR  118   9.99 +/- 1.72   0.085% *  0.0647% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.79 +/- 1.51   0.115% *  0.0454% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.26 +/- 2.10   0.014% *  0.2594% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.36 +/- 1.55   0.026% *  0.0578% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.64 +/- 1.40   0.002% *  0.2167% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.59 +/- 0.96   0.001% *  0.2571% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.73 +/- 1.42   0.003% *  0.0400% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.685, support = 0.0199, residual support = 39.8:
        T HB    ILE  119 - HA    THR  118   5.65 +/- 0.11  91.115% * 57.0728% (0.69 10.00   0.02  40.21) =  98.984%  kept
          HB    VAL  108 - HA    THR  118  10.78 +/- 1.92   5.516% *  7.0645% (0.85  1.00   0.02   0.02) =   0.742%  kept
          HB2   PRO   93 - HA    THR  118  12.62 +/- 2.51   1.592% *  7.0645% (0.85  1.00   0.02   0.02) =   0.214%
          HG2   PRO   58 - HA    THR  118  13.32 +/- 1.48   0.845% *  1.3079% (0.16  1.00   0.02   0.02) =   0.021%
          HB3   PRO   68 - HA    THR  118  16.49 +/- 2.72   0.626% *  1.1523% (0.14  1.00   0.02   0.02) =   0.014%
          HB3   GLU- 100 - HA    THR  118  18.30 +/- 1.78   0.097% *  5.1298% (0.62  1.00   0.02   0.02) =   0.009%
          HB2   ARG+  54 - HA    THR  118  19.50 +/- 0.98   0.056% *  7.3202% (0.88  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    THR  118  20.81 +/- 1.45   0.040% *  5.7073% (0.69  1.00   0.02   0.02) =   0.004%
          HG3   PRO   52 - HA    THR  118  18.74 +/- 1.35   0.074% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    THR  118  22.50 +/- 1.41   0.025% *  3.3482% (0.40  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  25.54 +/- 2.04   0.013% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.72 +/- 2.52   0.002% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 20 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.401, support = 0.02, residual support = 40.2:
        T HG12  ILE  119 - HA    THR  118   5.30 +/- 0.17  99.261% * 44.9828% (0.40 10.00   0.02  40.21) =  99.849%  kept
          HB2   ASP-  44 - HA    THR  118  13.58 +/- 1.04   0.381% *  9.4912% (0.85  1.00   0.02   0.02) =   0.081%
          HB3   PHE   72 - HA    THR  118  14.92 +/- 1.35   0.238% *  8.7032% (0.78  1.00   0.02   0.02) =   0.046%
          QG    GLU-  15 - HA    THR  118  18.44 +/- 1.98   0.072% *  9.9446% (0.89  1.00   0.02   0.02) =   0.016%
          QG    GLN   90 - HA    THR  118  21.81 +/- 1.13   0.021% *  8.0341% (0.72  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - HA    THR  118  23.63 +/- 2.17   0.015% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.89 +/- 2.23   0.004% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  25.79 +/- 1.43   0.008% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 20 structures by 1.53 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 37.0:
      O T HB    THR  118 - HA    THR  118   2.93 +/- 0.10  99.950% * 99.8099% (0.72  10.0 10.00   3.00  37.04) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  11.00 +/- 1.20   0.046% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  17.91 +/- 1.37   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.33 +/- 1.73   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  21.41 +/- 1.32   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.32 +/- 1.79   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 0.07 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0198, residual support = 10.4:
          QD    PHE   59 - HA    THR  118   7.10 +/- 0.83  99.187% * 25.6201% (0.85   0.02  10.45) =  99.205%  kept
          HE21  GLN   30 - HA    THR  118  19.27 +/- 1.40   0.309% * 26.1376% (0.87   0.02   0.02) =   0.315%
          HD1   TRP   27 - HA    THR  118  19.45 +/- 1.49   0.297% * 25.6201% (0.85   0.02   0.02) =   0.297%
          HH2   TRP   49 - HA    THR  118  21.97 +/- 2.70   0.207% * 22.6222% (0.75   0.02   0.02) =   0.183%
    Distance limit 3.43 A violated in 20 structures by 3.68 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   6.81 +/- 0.35  99.748% * 43.4534% (0.47   0.02   0.02) =  99.813%  kept
          HZ2   TRP   49 - HA    THR  118  21.81 +/- 2.63   0.168% * 40.2018% (0.44   0.02   0.02) =   0.155%
          HE21  GLN   17 - HA    THR  118  22.70 +/- 1.43   0.084% * 16.3448% (0.18   0.02   0.02) =   0.032%
    Distance limit 3.81 A violated in 20 structures by 3.00 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.28, residual support = 40.2:
      O   HN    ILE  119 - HA    THR  118   3.47 +/- 0.09  99.994% * 99.6357% (0.51  10.0   5.28  40.21) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.12 +/- 1.16   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  22.87 +/- 1.43   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  23.42 +/- 1.78   0.001% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  21.97 +/- 1.63   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.64, residual support = 37.0:
      O   HN    THR  118 - HA    THR  118   2.85 +/- 0.06  99.504% * 99.6520% (0.51  10.0   3.64  37.04) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.98 +/- 0.26   0.472% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.76 +/- 1.07   0.024% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  22.99 +/- 1.71   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.377, support = 3.03, residual support = 37.1:
      O T HA    THR  118 - HB    THR  118   2.93 +/- 0.10  96.005% * 73.6666% (0.38  10.0 10.00   3.00  37.04) =  98.600%  kept
          HA    ILE  119 - HB    THR  118   5.11 +/- 0.26   3.875% * 25.9150% (0.53   1.0  1.00   5.02  40.21) =   1.400%  kept
          HD3   PRO   58 - HB    THR  118  11.29 +/- 1.25   0.041% *  0.0955% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  10.83 +/- 1.49   0.076% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.31 +/- 1.06   0.002% *  0.1500% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  22.29 +/- 1.67   0.001% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  21.38 +/- 1.92   0.001% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 3.52, residual support = 10.9:
          QG1   VAL  107 - QG2   THR  118   2.21 +/- 0.96  91.944% * 31.7718% (0.51   3.16   5.52) =  84.438%  kept
          HG13  ILE  119 - QG2   THR  118   4.27 +/- 0.88   8.008% * 67.2287% (0.62   5.50  40.21) =  15.562%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.14 +/- 1.60   0.040% *  0.3432% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  13.79 +/- 1.47   0.004% *  0.3189% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.45 +/- 1.34   0.002% *  0.2582% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.16 +/- 1.10   0.003% *  0.0792% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.261, support = 1.63, residual support = 4.44:
        T HB3   ASP- 105 - QG2   THR  118   4.52 +/- 1.44  70.528% * 77.7415% (0.25 10.00   1.64   4.51) =  94.998%  kept
          QB    LYS+ 106 - QG2   THR  118   5.60 +/- 1.28  18.832% * 14.7140% (0.51  1.00   1.52   3.30) =   4.801%  kept
          HB3   PRO   58 - QG2   THR  118  10.66 +/- 1.56   1.626% *  5.5647% (0.62  1.00   0.47   0.02) =   0.157%
          HB    ILE   56 - QG2   THR  118   7.78 +/- 1.30   7.257% *  0.3231% (0.85  1.00   0.02   0.02) =   0.041%
          HB2   MET   92 - QG2   THR  118  11.84 +/- 0.73   0.220% *  0.2963% (0.78  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   THR  118  12.17 +/- 2.22   0.891% *  0.0676% (0.18  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   THR  118  10.33 +/- 1.40   0.385% *  0.0760% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QG2   THR  118  15.34 +/- 1.08   0.045% *  0.3296% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  15.93 +/- 1.06   0.035% *  0.3408% (0.89  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  14.35 +/- 1.47   0.115% *  0.0852% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.08 +/- 0.73   0.035% *  0.1282% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  17.46 +/- 1.15   0.022% *  0.1531% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  20.02 +/- 1.47   0.009% *  0.1797% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 7 structures by 0.85 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.649, support = 3.46, residual support = 21.5:
        T HB2   ASP- 105 - QG2   THR  118   4.11 +/- 1.77  36.654% * 65.0016% (0.51 10.00   1.64   4.51) =  52.365%  kept
          HG12  ILE  119 - QG2   THR  118   3.11 +/- 0.74  63.100% * 34.3476% (0.80  1.00   5.46  40.21) =  47.635%  kept
          HB2   ASP-  44 - QG2   THR  118   8.82 +/- 1.06   0.141% *  0.0526% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.37 +/- 1.19   0.055% *  0.0683% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.45 +/- 1.17   0.024% *  0.1295% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.21 +/- 1.64   0.012% *  0.0390% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  16.28 +/- 0.87   0.003% *  0.0794% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  15.02 +/- 1.49   0.005% *  0.0390% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.66 +/- 1.07   0.003% *  0.0478% (0.31  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.27 +/- 1.86   0.002% *  0.0577% (0.37  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.69 +/- 0.97   0.001% *  0.1375% (0.88  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.39, support = 4.28, residual support = 38.3:
      O T HA    THR  118 - QG2   THR  118   2.82 +/- 0.19  68.134% * 41.5367% (0.34  10.0 10.00   3.78  37.04) =  60.515%  kept
        T HA    ILE  119 - QG2   THR  118   3.29 +/- 0.31  31.713% * 58.2274% (0.47   1.0 10.00   5.06  40.21) =  39.485%  kept
          HD3   PRO   58 - QG2   THR  118   9.28 +/- 1.28   0.075% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118   9.81 +/- 1.26   0.071% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.16 +/- 0.97   0.005% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.62 +/- 1.32   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  17.46 +/- 1.52   0.001% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.78, residual support = 37.0:
      O T HB    THR  118 - QG2   THR  118   2.17 +/- 0.01  99.785% * 99.8099% (0.72  10.0 10.00   3.78  37.04) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.70 +/- 1.31   0.212% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.08 +/- 0.89   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  15.78 +/- 0.96   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.84 +/- 1.21   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.19 +/- 1.42   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 = 0.984, residual support = 3.57:
          HD2   HIS  122 - QG2   THR  118   3.29 +/- 0.14  98.777% * 96.5020% (0.90   0.98   3.57) =  99.978%  kept
          HE22  GLN  116 - QG2   THR  118   7.73 +/- 0.91   0.988% *  1.9562% (0.89   0.02   0.02) =   0.020%
          QD    PHE   45 - QG2   THR  118   9.39 +/- 1.02   0.232% *  0.7358% (0.34   0.02   0.02) =   0.002%
          HE22  GLN   17 - QG2   THR  118  18.04 +/- 1.30   0.004% *  0.8060% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.4, residual support = 10.5:
          QD    PHE   59 - QG2   THR  118   4.04 +/- 1.06  99.651% * 98.3209% (0.85   3.40  10.45) =  99.998%  kept
          HD1   TRP   27 - QG2   THR  118  14.43 +/- 1.03   0.129% *  0.5784% (0.85   0.02   0.02) =   0.001%
          HE21  GLN   30 - QG2   THR  118  14.20 +/- 1.09   0.122% *  0.5901% (0.87   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  16.34 +/- 2.04   0.098% *  0.5107% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 3 structures by 0.70 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.06, residual support = 40.2:
        T QG2   THR  118 - HA    ILE  119   3.29 +/- 0.31 100.000% *100.0000% (0.57 10.00   5.06  40.21) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.504, support = 4.1, residual support = 36.6:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  47.331% * 58.3227% (0.45   4.96  54.86) =  64.889%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.34 +/- 0.86  37.573% * 39.6849% (0.61   2.50   2.95) =  35.050%  kept
          QD    LYS+  66 - HA    ILE  119   8.22 +/- 2.82  10.248% *  0.1307% (0.25   0.02   0.02) =   0.031%
          HG    LEU  115 - HA    ILE  119   7.73 +/- 0.62   3.982% *  0.2350% (0.45   0.02   8.89) =   0.022%
          HB3   LEU   40 - HA    ILE  119  11.47 +/- 2.00   0.502% *  0.3601% (0.69   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HA    ILE  119  12.23 +/- 1.73   0.314% *  0.3601% (0.69   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    ILE  119  16.63 +/- 0.81   0.037% *  0.5059% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ILE  119  19.58 +/- 0.81   0.014% *  0.4006% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 7 structures by 0.72 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 18.9:
          QD    PHE   59 - HA    ILE  119   5.18 +/- 0.69  99.831% * 25.6201% (0.95   0.02  18.92) =  99.832%  kept
          HE21  GLN   30 - HA    ILE  119  17.95 +/- 1.54   0.083% * 26.1376% (0.97   0.02   0.02) =   0.085%
          HD1   TRP   27 - HA    ILE  119  19.20 +/- 1.62   0.057% * 25.6201% (0.95   0.02   0.02) =   0.057%
          HH2   TRP   49 - HA    ILE  119  22.09 +/- 2.45   0.030% * 22.6222% (0.84   0.02   0.02) =   0.026%
    Distance limit 3.22 A violated in 18 structures by 1.96 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 = 257.5:
      O   HN    ILE  119 - HA    ILE  119   2.86 +/- 0.02  99.998% * 99.7485% (0.98  10.0   8.75 257.46) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.62 +/- 0.86   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.45 +/- 1.92   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  24.17 +/- 1.19   0.000% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.43 +/- 1.57   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.218, support = 5.75, residual support = 51.1:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  86.275% * 65.0178% (0.18  10.0   6.01  54.86) =  93.091%  kept
          HN    LEU  123 - HA    ILE  119   5.09 +/- 0.38  12.139% * 34.2471% (0.80   1.0   2.30   0.14) =   6.899%  kept
          HN    ALA  124 - HA    ILE  119   7.16 +/- 0.51   1.583% *  0.3639% (0.98   1.0   0.02   0.02) =   0.010%
          HE21  GLN   17 - HA    ILE  119  19.39 +/- 1.17   0.004% *  0.3713% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.53, residual support = 14.3:
          HA    GLN  116 - HB    ILE  119   2.74 +/- 0.60  99.984% * 96.5641% (0.84   2.53  14.34) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.41 +/- 1.64   0.006% *  0.7637% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.52 +/- 1.22   0.004% *  0.4164% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.42 +/- 1.20   0.004% *  0.2443% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  22.98 +/- 2.08   0.001% *  0.5119% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.23 +/- 1.53   0.000% *  0.5747% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  27.63 +/- 1.48   0.000% *  0.4480% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.72 +/- 0.87   0.001% *  0.1221% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.94 +/- 1.74   0.000% *  0.3548% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.521, support = 4.95, residual support = 54.2:
          HN    ALA  120 - HB    ILE  119   2.66 +/- 0.18  75.333% * 93.5814% (0.53   5.03  54.86) =  98.255%  kept
          HE21  GLN  116 - HB    ILE  119   3.78 +/- 1.10  24.066% *  5.1944% (0.22   0.68  14.34) =   1.742%  kept
          HN    ALA  124 - HB    ILE  119   7.53 +/- 0.53   0.166% *  0.4915% (0.69   0.02   0.02) =   0.001%
          HN    LEU  123 - HB    ILE  119   6.43 +/- 0.43   0.419% *  0.1895% (0.27   0.02   0.14) =   0.001%
          HN    ALA   57 - HB    ILE  119  11.83 +/- 1.28   0.015% *  0.1215% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  21.07 +/- 1.67   0.000% *  0.4217% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.56, residual support = 257.5:
      O   HN    ILE  119 - HB    ILE  119   2.26 +/- 0.13 100.000% * 99.7485% (0.85  10.0   7.56 257.46) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.60 +/- 1.13   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  24.86 +/- 1.06   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.24 +/- 1.77   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.14 +/- 1.44   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 54.9:
          HA    ALA  120 - QG2   ILE  119   3.33 +/- 0.23  97.817% * 94.9060% (0.57   3.85  54.86) =  99.994%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.54 +/- 0.19   1.828% *  0.1724% (0.20   0.02   2.95) =   0.003%
          HA    LYS+  65 - QG2   ILE  119   9.47 +/- 1.14   0.262% *  0.8241% (0.95   0.02   0.02) =   0.002%
          HA2   GLY   16 - QG2   ILE  119  12.92 +/- 1.25   0.034% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  16.01 +/- 1.10   0.012% *  0.6658% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.41 +/- 0.93   0.027% *  0.2172% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.99 +/- 1.36   0.010% *  0.1344% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.38 +/- 0.88   0.004% *  0.2972% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  19.18 +/- 0.97   0.003% *  0.2689% (0.31   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  23.23 +/- 0.94   0.001% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  21.62 +/- 1.77   0.001% *  0.4932% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  23.49 +/- 0.85   0.001% *  0.4583% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.596, support = 5.53, residual support = 53.2:
          HN    ALA  120 - QG2   ILE  119   3.15 +/- 0.26  57.664% * 78.0747% (0.61   5.63  54.86) =  96.758%  kept
          HN    LEU  123 - QG2   ILE  119   4.62 +/- 0.48   6.041% * 20.3640% (0.31   2.89   0.14) =   2.644%  kept
          HE21  GLN  116 - QG2   ILE  119   3.76 +/- 1.15  34.283% *  0.7911% (0.25   0.14  14.34) =   0.583%  kept
          HN    ALA  124 - QG2   ILE  119   5.60 +/- 0.49   1.922% *  0.3659% (0.80   0.02   0.02) =   0.015%
          HN    ALA   57 - QG2   ILE  119   9.99 +/- 1.28   0.086% *  0.0904% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  16.18 +/- 1.46   0.003% *  0.3139% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.89, residual support = 257.5:
          HN    ILE  119 - QG2   ILE  119   3.64 +/- 0.07  99.984% * 99.2759% (0.80   7.89 257.46) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  19.48 +/- 1.74   0.005% *  0.3136% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  17.52 +/- 1.13   0.009% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  21.56 +/- 0.90   0.002% *  0.3033% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 1.97, residual support = 8.19:
          QD2   LEU  115 - HG12  ILE  119   3.02 +/- 1.26  73.593% * 78.0526% (0.90   2.08   8.89) =  91.930%  kept
          QD1   LEU   63 - HG12  ILE  119   4.18 +/- 1.51  26.366% * 19.1227% (0.57   0.81   0.25) =   8.069%  kept
          QD1   LEU  104 - HG12  ILE  119  10.70 +/- 1.27   0.032% *  0.8382% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  14.48 +/- 1.11   0.005% *  0.4746% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  19.88 +/- 3.02   0.001% *  0.7738% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  18.93 +/- 1.79   0.001% *  0.6087% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  15.53 +/- 0.94   0.002% *  0.1293% (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 = 0.862, support = 1.97, residual support = 7.98:
          QD2   LEU  115 - HG13  ILE  119   3.50 +/- 1.65  65.418% * 79.4810% (0.90   2.12   8.89) =  89.484%  kept
          QD1   LEU   63 - HG13  ILE  119   4.30 +/- 1.58  34.528% * 17.6962% (0.57   0.75   0.25) =  10.516%  kept
          QD1   LEU  104 - HG13  ILE  119  11.18 +/- 1.22   0.039% *  0.8377% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  14.74 +/- 1.44   0.008% *  0.4743% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  20.20 +/- 2.85   0.002% *  0.7733% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  19.47 +/- 1.79   0.002% *  0.6083% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  16.12 +/- 0.98   0.004% *  0.1293% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 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  10.12 +/- 2.13 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.56 A violated in 20 structures by 6.56 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 18.9:
          QD    PHE   59 - HG13  ILE  119   3.46 +/- 0.60  99.982% * 98.0907% (0.95   2.98  18.92) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  18.57 +/- 2.07   0.009% *  0.6710% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  19.94 +/- 1.79   0.005% *  0.6577% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  20.49 +/- 2.48   0.004% *  0.5807% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.07, residual support = 257.5:
          HN    ILE  119 - HG13  ILE  119   3.65 +/- 0.39  99.989% * 99.1930% (0.80   7.07 257.46) = 100.000%  kept
          HN    SER   37 - HG13  ILE  119  23.15 +/- 2.03   0.002% *  0.3495% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  19.49 +/- 1.65   0.007% *  0.1195% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG13  ILE  119  23.38 +/- 1.13   0.002% *  0.3381% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.82, residual support = 18.9:
          QD    PHE   59 - HG12  ILE  119   3.06 +/- 0.61  99.990% * 98.9875% (0.84   3.82  18.92) = 100.000%  kept
          HD1   TRP   27 - HG12  ILE  119  19.55 +/- 1.55   0.003% *  0.5186% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  18.51 +/- 1.60   0.004% *  0.3022% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  19.84 +/- 2.57   0.003% *  0.1916% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.04, residual support = 257.5:
          HN    ILE  119 - HG12  ILE  119   2.60 +/- 0.27  99.999% * 99.2897% (0.80   8.04 257.46) = 100.000%  kept
          HN    SER   37 - HG12  ILE  119  23.03 +/- 1.75   0.000% *  0.3076% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG12  ILE  119  22.58 +/- 1.09   0.000% *  0.2975% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  19.44 +/- 1.08   0.001% *  0.1052% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.67 +/- 1.78 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 5.63 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.321, support = 3.41, residual support = 6.26:
          QD2   LEU  115 - QD1   ILE  119   2.57 +/- 0.84  61.875% * 54.9216% (0.40  1.00   4.52   8.89) =  69.623%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.51 +/- 1.25  38.091% * 38.9213% (0.15 10.00   0.85   0.25) =  30.374%  kept
        T QD1   LEU  104 - QD1   ILE  119   9.79 +/- 1.57   0.025% *  4.0573% (0.66 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QD1   ILE  119  12.30 +/- 1.41   0.004% *  0.9114% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  13.17 +/- 0.83   0.003% *  0.3344% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  16.02 +/- 1.54   0.001% *  0.5893% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  16.57 +/- 2.44   0.001% *  0.2648% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.97, residual support = 14.3:
        T HA    GLN  116 - QD1   ILE  119   3.32 +/- 0.69  99.600% * 99.4587% (0.51 10.00   3.97  14.34) = 100.000%  kept
          HA    VAL   70 - QD1   ILE  119  12.13 +/- 1.77   0.179% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  12.30 +/- 1.04   0.087% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.88 +/- 1.17   0.122% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  18.50 +/- 1.74   0.007% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.96 +/- 1.64   0.003% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.78 +/- 1.76   0.003% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 2 structures by 0.35 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   8.07 +/- 1.78  53.921% * 81.6578% (0.96 10.00   0.02   0.02) =  83.896%  kept
        T QD    PHE   72 - QD1   ILE  119   8.23 +/- 1.35  46.079% * 18.3422% (0.21 10.00   0.02   0.02) =  16.104%  kept
    Distance limit 3.26 A violated in 20 structures by 3.89 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.505, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.48 +/- 1.21  78.395% * 23.3518% (0.47   0.02   0.02) =  74.017%  kept
          QE    PHE   72 - QD1   ILE  119   7.21 +/- 1.50  20.849% * 29.0981% (0.59   0.02   0.02) =  24.529%  kept
          HN    ALA   47 - QD1   ILE  119  12.88 +/- 1.02   0.756% * 47.5501% (0.96   0.02   0.02) =   1.454%  kept
    Distance limit 3.31 A violated in 17 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 1.55, residual support = 14.3:
          HN    HIS  122 - QD1   ILE  119   6.02 +/- 1.01  27.482% * 98.2026% (0.87   1.57  14.26) =  98.736%  kept
          HN    PHE   59 - QD1   ILE  119   4.68 +/- 1.20  72.509% *  0.4764% (0.33   0.02  18.92) =   1.264%  kept
          HH2   TRP   87 - QD1   ILE  119  21.06 +/- 2.28   0.009% *  1.3210% (0.91   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 7 structures by 0.73 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.97, residual support = 257.5:
          HN    ILE  119 - QD1   ILE  119   3.67 +/- 0.24  99.966% * 99.2817% (0.95   6.97 257.46) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  16.05 +/- 1.25   0.018% *  0.2427% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  19.16 +/- 0.99   0.006% *  0.2427% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  19.62 +/- 1.79   0.006% *  0.1880% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  19.94 +/- 1.63   0.005% *  0.0448% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.23, residual support = 27.1:
        T QD1   LEU  123 - HA    ALA  120   2.73 +/- 0.69  99.504% * 99.1996% (0.45 10.00   5.23  27.07) =  99.999%  kept
          HB3   LEU   63 - HA    ALA  120  10.34 +/- 1.76   0.326% *  0.2169% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    ALA  120  10.53 +/- 2.46   0.098% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.21 +/- 1.49   0.016% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  11.37 +/- 2.15   0.043% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  16.21 +/- 1.42   0.006% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.16 +/- 2.60   0.007% *  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 = 0.58, support = 4.08, residual support = 14.4:
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.05  44.836% * 31.4276% (0.18  10.0   3.61  13.89) =  43.015%  kept
          HN    LEU  123 - HA    ALA  120   3.12 +/- 0.27  25.372% * 38.6579% (0.80   1.0   5.38  27.07) =  29.942%  kept
          HN    ALA  124 - HA    ALA  120   3.19 +/- 0.71  29.792% * 29.7350% (0.98   1.0   3.38   1.30) =  27.043%  kept
          HE21  GLN   17 - HA    ALA  120  22.22 +/- 1.60   0.000% *  0.1795% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.31, residual support = 316.4:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.04  99.995% * 99.7700% (0.45  10.0   6.31 316.40) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  26.51 +/- 2.61   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.20 +/- 1.57   0.005% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.94 +/- 1.49   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.877, support = 2.73, residual support = 7.32:
          HA    THR  118 - HB2   LYS+ 121   2.60 +/- 0.44  94.589% * 34.1415% (0.87   2.55   7.80) =  90.181%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.60 +/- 0.38   5.403% * 65.0764% (0.97   4.37   2.95) =   9.819%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.64 +/- 1.60   0.007% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  20.82 +/- 1.08   0.001% *  0.0859% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  25.20 +/- 2.05   0.000% *  0.2361% (0.76   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.92 +/- 1.60   0.000% *  0.2852% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 2.11, residual support = 7.74:
        T HA    THR  118 - HB3   LYS+ 121   3.56 +/- 0.44  94.239% * 82.9170% (0.72 10.00   2.09   7.80) =  98.777%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.78 +/- 0.42   5.745% * 16.8410% (0.81  1.00   3.65   2.95) =   1.223%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.48 +/- 2.06   0.013% *  0.0541% (0.47  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.41 +/- 1.57   0.003% *  0.0266% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  25.84 +/- 2.45   0.001% *  0.0731% (0.64  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.91 +/- 1.62   0.000% *  0.0882% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.42, residual support = 316.4:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.04 +/- 0.39  99.999% * 99.9582% (0.75  10.0   6.42 316.40) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  24.76 +/- 2.49   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.34, residual support = 53.2:
          HN    HIS  122 - HB3   LYS+ 121   3.47 +/- 0.75  99.960% * 99.5490% (0.75   6.34  53.20) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.17 +/- 1.27   0.039% *  0.1195% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  25.23 +/- 4.38   0.002% *  0.3315% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.45, residual support = 53.2:
          HN    HIS  122 - HB2   LYS+ 121   2.96 +/- 0.37  99.725% * 99.2422% (0.41   7.45  53.20) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.37 +/- 0.81   0.273% *  0.2211% (0.34   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   LYS+ 121  19.50 +/- 1.68   0.002% *  0.2211% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   LYS+ 121  24.91 +/- 4.05   0.001% *  0.3155% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.82, residual support = 316.4:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.19 +/- 0.20 100.000% * 99.9061% (0.92  10.0   6.82 316.40) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  23.85 +/- 2.59   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.421, support = 1.13, residual support = 8.72:
          QG2   ILE  119 - HB2   HIS  122   5.44 +/- 1.28  24.293% * 64.7205% (0.53   1.43  14.26) =  59.037%  kept
          QD1   LEU   40 - HB2   HIS  122   4.59 +/- 2.77  56.341% * 12.7527% (0.20   0.75   0.97) =  26.979%  kept
          QD2   LEU   67 - HB2   HIS  122   6.04 +/- 2.35  17.269% * 21.5121% (0.41   0.61   0.27) =  13.949%  kept
          QD2   LEU   71 - HB2   HIS  122  11.03 +/- 2.21   2.039% *  0.4285% (0.25   0.02   0.02) =   0.033%
          QD1   ILE  103 - HB2   HIS  122  12.34 +/- 2.34   0.058% *  0.5862% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.592, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   6.54 +/- 2.76  51.834% * 20.0916% (0.69   0.02   0.02) =  76.795%  kept
          QD1   LEU   63 - HB2   HIS  122   6.54 +/- 1.36  34.906% *  4.5130% (0.15   0.02   0.02) =  11.617%  kept
          QD2   LEU  115 - HB2   HIS  122   9.11 +/- 1.58  12.677% * 12.0248% (0.41   0.02   0.02) =  11.241%  kept
          QD1   LEU   73 - HB2   HIS  122  13.02 +/- 1.83   0.443% *  4.5130% (0.15   0.02   0.02) =   0.148%
          QG1   VAL   83 - HB2   HIS  122  20.21 +/- 2.38   0.041% * 29.1845% (1.00   0.02   0.02) =   0.087%
          QG2   ILE   89 - HB2   HIS  122  18.58 +/- 1.23   0.064% * 16.5597% (0.57   0.02   0.02) =   0.078%
          QD2   LEU   80 - HB2   HIS  122  21.09 +/- 3.90   0.035% * 13.1134% (0.45   0.02   0.02) =   0.034%
    Distance limit 4.02 A violated in 11 structures by 1.26 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 = 72.7:
      O   HD2   HIS  122 - HB2   HIS  122   3.40 +/- 0.51  99.793% * 99.8219% (1.00  10.0   3.81  72.69) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.09 +/- 2.39   0.182% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.19 +/- 1.56   0.021% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.44 +/- 1.29   0.004% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.89, residual support = 72.7:
      O   HN    HIS  122 - HB2   HIS  122   3.12 +/- 0.59  99.654% * 99.7165% (0.41  10.0   5.89  72.69) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   8.92 +/- 1.10   0.337% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  17.54 +/- 2.55   0.009% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  26.16 +/- 3.35   0.001% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.87, residual support = 72.7:
      O   HD2   HIS  122 - HB3   HIS  122   3.30 +/- 0.55  99.748% * 99.8219% (1.00  10.0   3.87  72.69) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  11.10 +/- 1.98   0.234% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.20 +/- 1.78   0.015% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.55 +/- 1.51   0.004% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.03, residual support = 72.7:
      O   HN    HIS  122 - HB3   HIS  122   3.11 +/- 0.46  99.956% * 99.8567% (0.90  10.0   6.03  72.69) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.71 +/- 1.45   0.044% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  26.22 +/- 3.48   0.001% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.27, support = 0.725, residual support = 3.03:
        T QD1   LEU   40 - HB3   HIS  122   4.82 +/- 2.73  46.731% * 54.1941% (0.20 10.00   0.59   0.97) =  74.604%  kept
          QG2   ILE  119 - HB3   HIS  122   5.47 +/- 0.92  14.893% * 36.4709% (0.53  1.00   1.50  14.26) =  16.000%  kept
          QD2   LEU   67 - HB3   HIS  122   5.99 +/- 3.03  36.235% *  8.7887% (0.41  1.00   0.46   0.27) =   9.381%  kept
          QD2   LEU   71 - HB3   HIS  122  11.24 +/- 1.95   2.041% *  0.2307% (0.25  1.00   0.02   0.02) =   0.014%
          QD1   ILE  103 - HB3   HIS  122  12.36 +/- 2.71   0.100% *  0.3156% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 0.678, support = 3.2, residual support = 26.9:
          HA    ALA  120 - HG    LEU  123   3.20 +/- 0.97  97.638% * 77.4132% (0.68  1.00   3.22  27.07) =  99.532%  kept
          HA    LYS+ 121 - HG    LEU  123   6.92 +/- 0.46   1.879% * 18.8494% (0.47  1.00   1.13   2.52) =   0.466%
          HA    LYS+  65 - HG    LEU  123  12.19 +/- 2.02   0.191% *  0.4053% (0.57  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG    LEU  123   9.55 +/- 0.90   0.212% *  0.1655% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  15.41 +/- 2.65   0.069% *  0.4352% (0.62  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.00 +/- 1.51   0.006% *  0.3709% (0.52  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.02 +/- 1.65   0.002% *  1.2100% (0.17 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.09 +/- 1.46   0.001% *  0.4209% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.21 +/- 2.02   0.001% *  0.2943% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  30.36 +/- 1.59   0.000% *  0.4352% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.82, residual support = 203.7:
          HN    LEU  123 - HG    LEU  123   3.67 +/- 0.21  99.994% * 99.5545% (0.36   5.82 203.69) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.09 +/- 2.61   0.005% *  0.1288% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  26.33 +/- 2.47   0.001% *  0.3167% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.3, residual support = 27.1:
          HA    ALA  120 - HB3   LEU  123   3.28 +/- 0.48  98.153% * 96.3830% (0.99   3.30  27.07) =  99.992%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.62 +/- 0.52   1.633% *  0.4044% (0.69   0.02   2.52) =   0.007%
          QB    SER  117 - HB3   LEU  123   9.97 +/- 0.61   0.151% *  0.2008% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.22 +/- 1.54   0.043% *  0.4917% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  16.25 +/- 2.29   0.017% *  0.5279% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  20.33 +/- 1.41   0.002% *  0.4499% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  25.67 +/- 1.89   0.001% *  0.3570% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  26.48 +/- 1.20   0.000% *  0.5106% (0.87   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  24.47 +/- 1.47   0.001% *  0.1468% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  31.64 +/- 1.33   0.000% *  0.5279% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.864, support = 5.46, residual support = 149.7:
      O   HN    LEU  123 - HB3   LEU  123   3.45 +/- 0.47  25.023% * 88.3652% (0.98  10.0   5.82 203.69) =  71.817%  kept
          HN    ALA  124 - HB3   LEU  123   2.79 +/- 0.40  74.977% * 11.5729% (0.57   1.0   4.53  12.05) =  28.183%  kept
          HE21  GLN   17 - HB3   LEU  123  21.20 +/- 2.33   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 27.1:
          HA    ALA  120 - HB2   LEU  123   2.05 +/- 0.52  99.602% * 89.7771% (0.99  1.00   3.52  27.07) =  99.985%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.45 +/- 0.62   0.356% *  3.5387% (0.69 10.00   0.02   2.52) =   0.014%
        T HA    LYS+  65 - HB2   LEU  123  13.47 +/- 1.32   0.010% *  4.3030% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.82 +/- 0.70   0.030% *  0.1757% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  16.59 +/- 1.86   0.002% *  0.4620% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  19.31 +/- 1.35   0.000% *  0.3937% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  25.83 +/- 0.82   0.000% *  0.4469% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.02 +/- 1.62   0.000% *  0.3125% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  23.68 +/- 1.21   0.000% *  0.1285% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  30.83 +/- 1.45   0.000% *  0.4620% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.919, support = 5.9, residual support = 175.2:
      O   HN    LEU  123 - HB2   LEU  123   2.50 +/- 0.31  42.088% * 88.6845% (0.98  10.0   6.17 203.69) =  85.135%  kept
          HN    ALA  124 - HB2   LEU  123   2.46 +/- 0.76  57.912% * 11.2534% (0.57   1.0   4.39  12.05) =  14.865%  kept
          HE21  GLN   17 - HB2   LEU  123  21.35 +/- 1.92   0.000% *  0.0621% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.565, support = 5.22, residual support = 27.0:
        T HA    ALA  120 - QD1   LEU  123   2.73 +/- 0.69  96.454% * 93.6251% (0.57 10.00   5.23  27.07) =  99.816%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.39 +/- 0.44   3.327% *  4.9813% (0.20  1.00   3.04   2.52) =   0.183%
          HA    LYS+  65 - QD1   LEU  123   9.82 +/- 2.10   0.168% *  0.1564% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  12.60 +/- 2.10   0.035% *  0.1483% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.67 +/- 1.71   0.001% *  0.5104% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.36 +/- 1.37   0.008% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.90 +/- 1.28   0.002% *  0.1264% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.12 +/- 2.53   0.001% *  0.0936% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.59 +/- 1.48   0.001% *  0.0564% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  24.94 +/- 1.24   0.000% *  0.1483% (0.90  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.95 +/- 1.61   0.002% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  25.66 +/- 0.98   0.000% *  0.0870% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.569, support = 1.82, residual support = 9.26:
      O   HN    ALA  124 - QB    ALA  124   2.20 +/- 0.28  97.693% * 79.0498% (0.57  10.0   1.81   9.24) =  99.381%  kept
          HN    LEU  123 - QB    ALA  124   4.45 +/- 0.49   2.307% * 20.8445% (0.98   1.0   2.76  12.05) =   0.619%  kept
          HE21  GLN   17 - QB    ALA  124  20.85 +/- 1.46   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.81, residual support = 9.24:
      O   HN    ALA  124 - HA    ALA  124   2.78 +/- 0.16  96.638% * 99.7400% (0.98  10.0   1.81   9.24) =  99.997%  kept
          HN    LEU  123 - HA    ALA  124   4.98 +/- 0.25   3.192% *  0.0898% (0.80   1.0   0.02  12.05) =   0.003%
          HN    ALA  120 - HA    ALA  124   8.13 +/- 0.48   0.161% *  0.0196% (0.18   1.0   0.02   1.30) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.31 +/- 2.76   0.007% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  24.26 +/- 2.02   0.000% *  0.1121% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.09 +/- 2.62   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  21.28 +/- 2.55   0.001% *  0.0127% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.73 +/- 1.66   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.857, support = 5.62, residual support = 143.5:
      O   HN    LEU  123 - HA    LEU  123   2.91 +/- 0.03  72.504% * 44.9320% (0.80  10.0   6.19 203.69) =  68.589%  kept
      O   HN    ALA  124 - HA    LEU  123   3.48 +/- 0.35  27.125% * 55.0021% (0.98  10.0   4.37  12.05) =  31.411%  kept
          HN    ALA  120 - HA    LEU  123   7.00 +/- 0.23   0.370% *  0.0098% (0.18   1.0   0.02  27.07) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.07 +/- 1.97   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  14.59 +/- 3.25 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.24 A violated in 20 structures by 11.35 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.96, residual support = 22.2:
      O   HN    ILE  103 - HA    LYS+ 102   2.27 +/- 0.10  99.999% * 99.7350% (0.69  10.0   5.96  22.16) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  24.53 +/- 1.62   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  25.85 +/- 3.65   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.44 +/- 0.59   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  20.95 +/- 1.17   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   2.21 +/- 0.05 100.000% *100.0000% (0.73  10.0   3.16  14.40) = 100.000%  kept
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.69, residual support = 81.1:
      O   HN    LEU   80 - HB2   LEU   80   2.40 +/- 0.29  99.998% * 99.7811% (1.00  10.0   5.69  81.14) = 100.000%  kept
          HN    CYS   53 - HB2   LEU   80  16.42 +/- 1.99   0.001% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   LEU   80  20.19 +/- 3.36   0.000% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  18.53 +/- 3.57   0.001% *  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 = 5.66, residual support = 81.1:
      O   HN    LEU   80 - HB3   LEU   80   3.42 +/- 0.17  99.982% * 99.7811% (1.00  10.0   5.66  81.14) = 100.000%  kept
          HN    CYS   53 - HB3   LEU   80  17.43 +/- 1.77   0.007% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  20.66 +/- 3.76   0.004% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  18.73 +/- 4.07   0.007% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 81.1:
      O   HA    LEU   80 - HB3   LEU   80   2.73 +/- 0.12  97.691% * 99.6901% (0.98  10.0   5.29  81.14) =  99.998%  kept
          HA    THR   23 - HB3   LEU   80   7.42 +/- 2.91   1.154% *  0.0912% (0.90   1.0   0.02   1.27) =   0.001%
          HB    THR   23 - HB3   LEU   80   7.41 +/- 2.42   0.763% *  0.0912% (0.90   1.0   0.02   1.27) =   0.001%
          HA    ASP-  78 - HB3   LEU   80   6.97 +/- 0.32   0.392% *  0.0617% (0.61   1.0   0.02   4.81) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  23.68 +/- 3.98   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.443, support = 4.22, residual support = 81.1:
      O   QD2   LEU   80 - HB3   LEU   80   2.87 +/- 0.35  37.348% * 77.3053% (0.57  10.0  1.00   3.98  81.14) =  71.385%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.58 +/- 0.40  62.629% * 18.4793% (0.14  10.0  1.00   4.85  81.14) =  28.615%  kept
        T QD1   LEU   73 - HB3   LEU   80  11.66 +/- 2.79   0.014% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  17.40 +/- 2.75   0.001% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  19.05 +/- 2.53   0.000% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  14.51 +/- 3.00   0.003% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  21.63 +/- 3.42   0.000% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  14.70 +/- 3.72   0.004% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  20.27 +/- 2.59   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 = 0.631, support = 4.49, residual support = 80.7:
      O   HA    LEU   80 - HG    LEU   80   3.15 +/- 0.50  66.451% * 97.5059% (0.63  10.0   4.52  81.14) =  99.499%  kept
          HA    THR   23 - HG    LEU   80   6.34 +/- 4.24  18.594% *  1.6834% (0.58   1.0   0.38   1.27) =   0.481%
          HB    THR   23 - HG    LEU   80   6.25 +/- 3.65  14.136% *  0.0892% (0.58   1.0   0.02   1.27) =   0.019%
          HA    ASP-  78 - HG    LEU   80   8.39 +/- 0.32   0.287% *  0.0603% (0.39   1.0   0.02   4.81) =   0.000%
          HA    THR   23 - HG    LEU   73   9.66 +/- 1.32   0.271% *  0.0354% (0.23   1.0   0.02   0.11) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.26 +/- 1.02   0.122% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  11.66 +/- 1.04   0.062% *  0.0354% (0.23   1.0   0.02   0.11) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.60 +/- 0.47   0.029% *  0.0304% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.99 +/- 0.42   0.015% *  0.0304% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.10 +/- 1.37   0.011% *  0.0255% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  18.42 +/- 1.43   0.003% *  0.0671% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  15.90 +/- 2.57   0.006% *  0.0387% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  20.41 +/- 1.15   0.002% *  0.0671% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.29 +/- 0.77   0.004% *  0.0239% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  18.77 +/- 1.95   0.002% *  0.0332% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  24.41 +/- 4.52   0.001% *  0.0644% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  24.05 +/- 2.85   0.000% *  0.0734% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  21.13 +/- 1.88   0.001% *  0.0219% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.22 +/- 0.63   0.002% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.74 +/- 1.11   0.000% *  0.0454% (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 = 0.194, support = 5.34, residual support = 155.0:
          HN    LEU   73 - HG    LEU   73   3.01 +/- 0.73  58.211% * 43.2629% (0.20   5.65 170.69) =  84.361%  kept
          HN    ILE   19 - HG12  ILE   19   3.65 +/- 0.64  22.990% *  8.1971% (0.03   6.18 172.03) =   6.313%  kept
          HN    VAL   42 - HG    LEU   73   4.12 +/- 1.02  12.739% * 11.2546% (0.20   1.47   1.21) =   4.803%  kept
          HN    VAL   42 - HG    LEU   40   5.33 +/- 1.28   3.882% * 34.7431% (0.37   2.39   1.42) =   4.519%  kept
          HN    ILE   19 - HG    LEU   73   5.54 +/- 0.74   1.567% *  0.0309% (0.04   0.02   4.00) =   0.002%
          HN    LEU   73 - HG12  ILE   19   7.54 +/- 1.27   0.322% *  0.1313% (0.17   0.02   4.00) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.92 +/- 1.35   0.096% *  0.2904% (0.37   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.19 +/- 1.73   0.145% *  0.1313% (0.17   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  11.19 +/- 1.03   0.016% *  0.3173% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  15.18 +/- 3.56   0.006% *  0.3859% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.49 +/- 1.17   0.017% *  0.0586% (0.08   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  17.69 +/- 4.02   0.002% *  0.3859% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  14.84 +/- 1.45   0.003% *  0.1674% (0.21   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  16.04 +/- 3.08   0.003% *  0.0779% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  23.27 +/- 4.30   0.000% *  0.4218% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.90 +/- 1.87   0.000% *  0.1435% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 6.1, residual support = 174.4:
      O T HA    LYS+  99 - HB3   LYS+  99   2.46 +/- 0.22  88.461% * 92.7995% (0.76  10.0 10.00   6.13 175.58) =  99.280%  kept
          HA    LEU   40 - HB3   LYS+  99   3.97 +/- 0.97  11.485% *  5.1845% (0.65   1.0  1.00   1.32  11.53) =   0.720%  kept
          HA    ASN   35 - HB3   LYS+  99   9.35 +/- 1.43   0.039% *  0.1089% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  13.04 +/- 3.42   0.012% *  0.1190% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.72 +/- 1.34   0.000% *  1.1209% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.07 +/- 1.41   0.000% *  0.4992% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  16.51 +/- 1.66   0.001% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.14 +/- 1.02   0.000% *  0.0591% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  20.94 +/- 1.97   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.9, residual support = 175.6:
      O   HN    LYS+  99 - HB3   LYS+  99   3.19 +/- 0.36  97.742% * 99.4797% (0.31  10.0   3.90 175.58) =  99.998%  kept
          HE1   HIS  122 - HB3   LYS+  99  10.33 +/- 4.16   2.117% *  0.0804% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   LYS+  99  10.79 +/- 1.33   0.137% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  20.29 +/- 1.87   0.003% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  24.76 +/- 2.69   0.001% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.58, residual support = 17.1:
        T QD1   LEU  104 - HB3   LYS+  99   2.42 +/- 0.43  99.994% * 97.1115% (0.41 10.00   1.58  17.08) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  18.79 +/- 1.18   0.001% *  2.5026% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  18.55 +/- 2.62   0.001% *  0.2599% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.53 +/- 1.43   0.004% *  0.0593% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  20.07 +/- 4.47   0.001% *  0.0667% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 11.5:
        T QD2   LEU   40 - HB3   LYS+  99   2.90 +/- 0.62  98.508% * 99.6016% (0.76 10.00   1.97  11.53) =  99.999%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.25 +/- 0.49   0.977% *  0.0802% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB3   LYS+  99   9.34 +/- 1.85   0.491% *  0.0960% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  13.08 +/- 2.00   0.018% *  0.0330% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  17.20 +/- 1.12   0.004% *  0.1250% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.54 +/- 0.91   0.002% *  0.0643% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.71, residual support = 175.6:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.73 +/- 0.21  99.835% * 99.4593% (0.97  10.0   5.71 175.58) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99   9.48 +/- 1.80   0.117% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  12.73 +/- 1.38   0.015% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  12.85 +/- 2.37   0.019% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  13.87 +/- 0.92   0.007% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.64 +/- 0.92   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.26 +/- 1.00   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.45 +/- 2.13   0.001% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  23.97 +/- 1.45   0.000% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  24.85 +/- 4.02   0.000% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 175.6:
      O T HB2   LYS+  99 - HA    LYS+  99   2.95 +/- 0.16  99.959% * 99.7492% (0.99  10.0 10.00   7.00 175.58) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  11.19 +/- 0.75   0.039% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.05 +/- 1.06   0.002% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  27.20 +/- 1.98   0.000% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.611, support = 5.25, residual support = 181.7:
      O T QD    LYS+  99 - HG3   LYS+  99   2.26 +/- 0.11  58.381% * 20.0954% (0.34  10.0 10.00   5.27 175.58) =  42.596%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.83 +/- 0.31  19.625% * 58.3907% (0.99  10.0  1.00   5.26 175.58) =  41.606%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.69 +/- 0.22  21.802% * 19.9563% (0.34  10.0 10.00   5.15 214.37) =  15.798%  kept
        T QD    LYS+  99 - HG3   LYS+  38   8.01 +/- 2.31   0.145% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  13.00 +/- 1.34   0.003% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.51 +/- 2.11   0.038% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG12  ILE   89  14.31 +/- 2.53   0.002% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.62 +/- 1.38   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.48 +/- 1.35   0.001% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  26.09 +/- 2.00   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.69 +/- 1.50   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.60 +/- 1.96   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  23.61 +/- 1.55   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.07 +/- 2.04   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  16.17 +/- 1.78   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.60 +/- 2.51   0.001% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.94 +/- 1.62   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  29.31 +/- 2.14   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 = 175.6:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.57 +/- 0.26  99.863% * 97.9462% (0.99  10.0 10.00   6.44 175.58) = 100.000%  kept
        T HB2   LYS+  99 - HG3   LYS+  38   9.85 +/- 2.14   0.065% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.97 +/- 0.98   0.006% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG12  ILE   89  12.83 +/- 0.93   0.008% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.28 +/- 0.93   0.040% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  19.44 +/- 3.98   0.016% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  24.08 +/- 1.74   0.000% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.24 +/- 1.42   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.64 +/- 1.70   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  29.86 +/- 2.08   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  25.40 +/- 1.17   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  31.35 +/- 2.90   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 123.7:
    * O   HA    GLN  116 - HG3   GLN  116   3.48 +/- 0.26  99.989% * 99.5202% (1.00  10.0   5.52 123.66) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.48 +/- 2.06   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  20.44 +/- 1.68   0.003% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  20.76 +/- 2.04   0.003% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.97 +/- 1.19   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.03 +/- 1.88   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.04 +/- 1.41   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  31.81 +/- 1.33   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.74 +/- 2.19   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.07, residual support = 123.7:
      O   HB2   GLN  116 - HG3   GLN  116   2.31 +/- 0.06  99.953% * 99.6757% (0.98  10.0   6.07 123.66) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.69 +/- 2.02   0.045% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.20 +/- 1.26   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.91 +/- 1.46   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.36 +/- 1.77   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.40 +/- 1.61   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.14, residual support = 102.2:
          QD2   LEU  115 - HG3   GLN  116   3.74 +/- 0.51  97.710% * 98.8247% (0.97   7.14 102.24) =  99.997%  kept
          QD1   LEU   63 - HG3   GLN  116   9.11 +/- 1.57   1.371% *  0.1971% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   63 - HG3   GLN  116   9.62 +/- 1.57   0.875% *  0.0443% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  15.12 +/- 1.17   0.030% *  0.2813% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.53 +/- 1.27   0.007% *  0.1971% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  23.59 +/- 2.99   0.003% *  0.2813% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  22.63 +/- 2.24   0.004% *  0.1741% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.49, residual support = 123.7:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   6.49 123.66) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.62 +/- 0.71   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  33.10 +/- 1.24   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 = 4.05, residual support = 123.7:
      O   HE21  GLN  116 - HG3   GLN  116   3.58 +/- 0.29  96.978% * 99.6819% (0.69  10.0   4.05 123.66) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   6.92 +/- 0.76   2.878% *  0.0448% (0.31   1.0   0.02   0.28) =   0.001%
          HN    ALA   57 - HG3   GLN  116  11.45 +/- 1.23   0.143% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  26.64 +/- 3.19   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  30.05 +/- 2.28   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.68, residual support = 123.6:
          HN    GLN  116 - HG3   GLN  116   3.62 +/- 0.33  95.042% * 99.0023% (0.69   7.68 123.66) =  99.989%  kept
          HN    THR  118 - HG3   GLN  116   6.99 +/- 0.46   1.984% *  0.3463% (0.92   0.02   0.02) =   0.007%
          HN    GLU- 114 - HG3   GLN  116   6.77 +/- 0.86   2.802% *  0.0936% (0.25   0.02   0.37) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.99 +/- 1.14   0.171% *  0.3752% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG3   GLN  116  26.07 +/- 2.25   0.001% *  0.1826% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.58, residual support = 179.7:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.767% * 88.2996% (1.00  10.0 10.00   6.60 175.58) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.767% *  8.9120% (0.10  10.0 10.00   6.47 220.62) =   9.168%  kept
        T HG2   LYS+  38 - HG3   LYS+  99   8.23 +/- 2.07   0.013% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.59 +/- 2.47   0.084% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   4.73 +/- 0.24   0.135% *  0.0247% (0.28   1.0  1.00   0.02   7.05) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.48 +/- 0.59   0.083% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   5.04 +/- 0.59   0.138% *  0.0063% (0.07   1.0  1.00   0.02  12.43) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.53 +/- 1.02   0.006% *  0.0221% (0.25   1.0  1.00   0.02  18.35) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.40 +/- 1.13   0.004% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  16.68 +/- 3.12   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.35 +/- 1.48   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.57 +/- 2.81   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.67 +/- 2.35   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.09 +/- 1.47   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.82 +/- 0.67   0.000% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.79 +/- 1.12   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.96 +/- 1.18   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  12.79 +/- 0.82   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.00 +/- 2.09   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  19.73 +/- 2.10   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  20.10 +/- 1.16   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  20.11 +/- 1.37   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  18.01 +/- 2.54   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  26.70 +/- 4.08   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  25.66 +/- 1.60   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.88 +/- 1.16   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  25.79 +/- 1.58   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.95 +/- 1.93   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.48 +/- 2.86   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  24.13 +/- 1.85   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.26 +/- 1.99   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  29.24 +/- 1.56   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.89 +/- 1.65   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.64 +/- 1.82   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  28.18 +/- 4.32   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.98 +/- 1.94   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  28.72 +/- 1.65   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  26.20 +/- 2.29   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.55 +/- 2.13   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        :   1735
      with multiple volume contributions     :    496
      eliminated by violation filter         :    113
 
    Peaks:
      selected                               :   2700
      without assignment                     :    138
      with assignment                        :   2562
      with unique assignment                 :   2010
      with multiple assignment               :    552
      with reference assignment              :   1605
      with identical reference assignment    :   1265
      with compatible reference assignment   :    332
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    957
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QB    LYS+  33       2.8
    QD2   LEU   40       4.0
    HB    VAL   41       2.9
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.4
    QD    PHE   60       4.4
    HN    LYS+  65       6.0
    HZ    PHE   72       3.0
    HA    LEU   73       3.0
    QG    LYS+  81       2.7
    QG2   ILE   89       3.1
    QD1   ILE   89       4.0
    HB    THR   94       3.1
    HB3   MET   96       3.0
    QE    LYS+ 112       3.0
    HA    THR  118       5.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 71.8:
        T HA    PHE   60 - QD    PHE   60   2.44 +/- 0.43  99.835% * 98.3426% (0.87 10.00   3.93  71.84) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  12.37 +/- 1.16   0.007% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  11.58 +/- 1.10   0.017% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   8.87 +/- 1.71   0.121% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.75 +/- 1.27   0.012% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.50 +/- 1.12   0.003% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.20 +/- 1.10   0.006% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 74.0:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.778% * 99.2427% (0.69  10.0   1.00  74.01) = 100.000%  kept
          HN    TRP   87 - HZ3   TRP   87   6.97 +/- 0.21   0.213% *  0.1753% (0.61   1.0   0.02  74.01) =   0.000%
          HN    ALA   91 - HZ3   TRP   87  13.97 +/- 1.54   0.009% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  25.24 +/- 1.43   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  28.85 +/- 1.90   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  31.05 +/- 2.59   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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  22.00 +/- 2.12 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.24 A violated in 20 structures by 16.76 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.16, residual support = 4.91:
          QB    ALA   20 - HE1   HIS   22   4.55 +/- 0.17  99.957% * 93.6739% (0.76   1.16   4.91) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  21.14 +/- 1.24   0.010% *  1.9966% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.38 +/- 0.63   0.024% *  0.5263% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.39 +/- 1.03   0.004% *  1.1105% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  30.33 +/- 1.44   0.001% *  2.1059% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  26.24 +/- 2.12   0.003% *  0.5868% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.21 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.266, support = 5.3, residual support = 51.7:
          HN    ASN   28 - HD1   TRP   27   3.77 +/- 0.49  97.617% * 36.7112% (0.25   5.37  52.86) =  97.717%  kept
          HN    GLU-  25 - HD1   TRP   27   7.83 +/- 0.30   1.327% * 62.6662% (0.99   2.30   0.02) =   2.268%  kept
          HN    ASP-  44 - HD1   TRP   27   8.53 +/- 0.88   1.051% *  0.5379% (0.98   0.02   0.02) =   0.015%
          HN    ALA  110 - HD1   TRP   27  20.62 +/- 1.51   0.005% *  0.0847% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 2.38, residual support = 108.5:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.38 108.46) = 100.000%  kept
    Distance limit 4.00 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 = 1.58, residual support = 108.5:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00 100.000% * 99.9803% (0.89  10.0   1.58 108.46) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  19.23 +/- 0.92   0.000% *  0.0197% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 4.25, residual support = 108.5:
          HA    TRP   27 - HE3   TRP   27   5.13 +/- 0.13  99.324% * 98.5714% (0.96   4.25 108.46) =  99.998%  kept
          HA    ALA   91 - HE3   TRP   27  14.48 +/- 1.69   0.251% *  0.4761% (0.98   0.02   0.02) =   0.001%
          HA    VAL  107 - HE3   TRP   27  16.65 +/- 1.09   0.098% *  0.4434% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.73 +/- 1.75   0.102% *  0.0690% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.57 +/- 0.70   0.064% *  0.0721% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  20.80 +/- 1.33   0.024% *  0.1803% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  18.92 +/- 1.70   0.046% *  0.0741% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  22.98 +/- 1.91   0.015% *  0.0741% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.96 +/- 3.07   0.058% *  0.0115% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.59 +/- 0.94   0.018% *  0.0280% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.63 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 108.5:
      O   HB3   TRP   27 - HE3   TRP   27   3.17 +/- 0.24  99.847% * 98.0783% (0.17  10.0   4.50 108.46) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  11.22 +/- 1.34   0.080% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  16.83 +/- 1.85   0.007% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  15.91 +/- 0.84   0.007% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  18.59 +/- 1.94   0.004% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  14.23 +/- 0.85   0.015% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  16.27 +/- 2.62   0.012% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.90 +/- 2.14   0.023% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  20.14 +/- 1.38   0.002% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  17.35 +/- 0.72   0.004% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 0.935, support = 1.5, residual support = 10.7:
          QG1   VAL   43 - HE3   TRP   27   4.58 +/- 0.62  65.145% * 74.7308% (0.99   1.50   9.60) =  92.192%  kept
          QD2   LEU   73 - HE3   TRP   27   6.01 +/- 0.97  19.766% * 20.5305% (0.28   1.48  23.92) =   7.685%  kept
          HG    LEU   31 - HE3   TRP   27   7.22 +/- 0.78   5.297% *  0.4096% (0.41   0.02  12.25) =   0.041%
          QG1   VAL   41 - HE3   TRP   27   8.77 +/- 1.08   1.431% *  0.9426% (0.94   0.02   0.02) =   0.026%
          QG2   THR   46 - HE3   TRP   27   8.92 +/- 0.89   1.527% *  0.8323% (0.83   0.02   0.02) =   0.024%
          QG2   VAL   18 - HE3   TRP   27  10.15 +/- 0.80   0.663% *  0.9198% (0.91   0.02   0.02) =   0.012%
          QG2   VAL   18 - HN    LEU   67   7.76 +/- 0.66   3.633% *  0.1431% (0.14   0.02   0.02) =   0.010%
          QD1   ILE   19 - HE3   TRP   27   9.64 +/- 0.56   0.873% *  0.4850% (0.48   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    LEU   67  11.79 +/- 0.52   0.246% *  0.1467% (0.15   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    LEU   67  11.42 +/- 1.19   0.383% *  0.0755% (0.08   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    LEU   67  12.75 +/- 0.77   0.167% *  0.1550% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.40 +/- 0.62   0.568% *  0.0431% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  14.61 +/- 1.18   0.067% *  0.3399% (0.34   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.94 +/- 0.95   0.069% *  0.1295% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.53 +/- 1.39   0.143% *  0.0529% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.21 +/- 1.22   0.020% *  0.0637% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.548, support = 4.3, residual support = 14.6:
          QD1   LEU   73 - HE3   TRP   27   4.11 +/- 0.81  43.905% * 55.9787% (0.37   6.05  23.92) =  54.139%  kept
          QD2   LEU   80 - HE3   TRP   27   6.97 +/- 5.22  49.396% * 42.0992% (0.76   2.24   3.60) =  45.807%  kept
          QG1   VAL   83 - HE3   TRP   27   6.34 +/- 2.58   5.282% *  0.4419% (0.89   0.02   0.66) =   0.051%
          QG2   ILE   89 - HE3   TRP   27   9.18 +/- 1.29   0.338% *  0.1370% (0.28   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   67   7.12 +/- 0.72   0.914% *  0.0288% (0.06   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE3   TRP   27  12.60 +/- 1.27   0.033% *  0.1849% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  14.78 +/- 0.89   0.009% *  0.4661% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  11.25 +/- 1.51   0.052% *  0.0557% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.56 +/- 1.29   0.040% *  0.0725% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.74 +/- 1.24   0.004% *  0.3578% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.56 +/- 0.48   0.023% *  0.0288% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  20.31 +/- 1.39   0.001% *  0.0688% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  19.91 +/- 2.64   0.001% *  0.0586% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  19.17 +/- 0.84   0.002% *  0.0213% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 1.39, residual support = 4.42:
          QG2   VAL   75 - HE3   TRP   27   2.78 +/- 0.93  98.277% * 98.5079% (0.72   1.40   4.42) =  99.995%  kept
          QG2   VAL   42 - HE3   TRP   27   9.81 +/- 0.78   0.235% *  1.1011% (0.56   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    LEU   67   7.48 +/- 0.99   1.468% *  0.1713% (0.09   0.02   0.02) =   0.003%
          QG2   VAL   75 - HN    LEU   67  14.55 +/- 0.77   0.019% *  0.2197% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 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   3.39 +/- 0.53  99.997% * 99.9216% (0.92  10.0 10.00   2.46  34.49) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  21.29 +/- 1.25   0.002% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  28.21 +/- 1.86   0.000% *  0.0214% (0.20   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 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  24.95 +/- 2.96   0.001% *  0.1783% (0.80   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 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.842, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.44 +/- 1.27  58.381% * 29.7119% (0.92   0.02   0.02) =  78.364%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.53 +/- 2.47  11.473% * 19.5221% (0.61   0.02   0.02) =  10.118%  kept
          HB2   PHE   72 - HD2   HIS   22  13.37 +/- 0.62  24.926% *  4.9662% (0.15   0.02   0.02) =   5.592%  kept
          QB    CYS   50 - HD2   HIS   22  18.53 +/- 2.29   3.584% * 28.8658% (0.90   0.02   0.02) =   4.674%  kept
          HB3   ASN   69 - HD2   HIS   22  21.42 +/- 1.01   1.636% * 16.9340% (0.53   0.02   0.02) =   1.252%  kept
    Distance limit 5.28 A violated in 20 structures by 5.14 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.07, residual support = 4.91:
        T QB    ALA   20 - HD2   HIS   22   4.75 +/- 0.53  99.888% * 98.9678% (0.28 10.00   2.07   4.91) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  19.81 +/- 1.11   0.020% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.29 +/- 1.20   0.015% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  16.38 +/- 1.15   0.071% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.05 +/- 1.33   0.003% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  30.10 +/- 2.28   0.002% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  20.69 +/- 2.05 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.23 A violated in 20 structures by 15.46 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.92, residual support = 5.69:
          HA    CYS   21 - HD2   HIS   22   3.83 +/- 0.41  99.926% * 97.1618% (0.95   2.92   5.69) = 100.000%  kept
          HA    ALA   47 - HD2   HIS   22  18.22 +/- 2.67   0.046% *  0.1956% (0.28   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  20.94 +/- 2.39   0.012% *  0.6656% (0.95   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  22.41 +/- 2.93   0.009% *  0.7036% (1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.40 +/- 1.58   0.002% *  0.4552% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  27.02 +/- 2.38   0.002% *  0.6790% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  23.57 +/- 1.79   0.004% *  0.1392% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 52.9:
          HA    ASN   28 - HD1   TRP   27   3.23 +/- 0.59  97.852% * 96.9015% (1.00   3.23  52.86) =  99.993%  kept
          HA    ALA   34 - HD1   TRP   27   8.83 +/- 0.67   0.491% *  0.5555% (0.92   0.02   0.02) =   0.003%
          HA    THR   26 - HD1   TRP   27   6.89 +/- 0.18   1.347% *  0.1673% (0.28   0.02  22.62) =   0.002%
          HA1   GLY  101 - HD1   TRP   27  10.96 +/- 2.32   0.269% *  0.4599% (0.76   0.02   0.02) =   0.001%
          HA    GLU-  36 - HD1   TRP   27  13.51 +/- 0.53   0.029% *  0.0814% (0.14   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  19.91 +/- 1.13   0.003% *  0.5964% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD1   TRP   27  17.95 +/- 2.84   0.006% *  0.1191% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.54 +/- 0.93   0.001% *  0.4133% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  23.36 +/- 1.61   0.001% *  0.3650% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  25.30 +/- 2.10   0.001% *  0.3407% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.21, residual support = 28.4:
          HA    VAL   24 - HD1   TRP   27   5.15 +/- 0.15  99.300% * 99.5302% (1.00   5.21  28.38) =  99.998%  kept
          HA    LYS+  38 - HD1   TRP   27  12.47 +/- 0.66   0.541% *  0.2632% (0.69   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  17.63 +/- 1.25   0.069% *  0.1307% (0.34   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  16.94 +/- 1.14   0.090% *  0.0758% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.53 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 108.5:
      O T HB2   TRP   27 - HD1   TRP   27   3.78 +/- 0.12  99.945% * 99.7544% (0.65  10.0 10.00   3.66 108.46) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  13.76 +/- 1.13   0.049% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.32 +/- 0.89   0.006% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 108.5:
      O T HB3   TRP   27 - HD1   TRP   27   3.47 +/- 0.14  99.927% * 99.6316% (0.73  10.0 10.00   4.09 108.46) = 100.000%  kept
          HB2   PHE   97 - HD1   TRP   27  13.29 +/- 1.02   0.035% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HD1   TRP   27  14.68 +/- 1.65   0.024% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  15.54 +/- 1.11   0.014% *  0.1267% (0.92   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 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.616, support = 2.63, residual support = 28.4:
          QG2   VAL   24 - HD1   TRP   27   5.73 +/- 0.84  46.069% * 67.2263% (0.76  1.00   2.61  28.38) =  67.513%  kept
          QG1   VAL   24 - HD1   TRP   27   5.65 +/- 1.04  53.764% * 27.7103% (0.31  1.00   2.67  28.38) =  32.477%  kept
        T QG1   VAL  107 - HD1   TRP   27  15.12 +/- 0.89   0.100% *  4.3553% (0.65 10.00   0.02   0.02) =   0.009%
          HG    LEU   63 - HD1   TRP   27  16.77 +/- 1.33   0.059% *  0.4083% (0.61  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HD1   TRP   27  25.48 +/- 1.69   0.004% *  0.1499% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  26.56 +/- 1.65   0.003% *  0.1499% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.09 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.78, residual support = 23.9:
          QD1   LEU   73 - HD1   TRP   27   2.42 +/- 0.48  99.792% * 95.6562% (0.49   3.78  23.92) =  99.998%  kept
          QD2   LEU   80 - HD1   TRP   27  10.70 +/- 4.82   0.127% *  0.9016% (0.87   0.02   3.60) =   0.001%
          QG1   VAL   83 - HD1   TRP   27  10.04 +/- 2.58   0.056% *  0.8323% (0.80   0.02   0.66) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  12.77 +/- 1.06   0.009% *  1.0302% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  12.83 +/- 1.56   0.009% *  0.5059% (0.49   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  13.00 +/- 1.34   0.007% *  0.2057% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  17.68 +/- 1.38   0.001% *  0.8682% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 1.35, residual support = 12.2:
          QD2   LEU   31 - HD1   TRP   27   2.03 +/- 0.31  99.988% * 96.2610% (0.73   1.35  12.25) = 100.000%  kept
          QG2   VAL   83 - HD1   TRP   27  10.34 +/- 2.27   0.011% *  1.9712% (1.00   0.02   0.66) =   0.000%
          QD1   ILE   89 - HD1   TRP   27  12.95 +/- 1.49   0.002% *  1.7678% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 108.5:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.997% * 99.7536% (0.28  10.0 10.00   1.32 108.46) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  15.09 +/- 1.42   0.003% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.03 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 = 108.5:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.10 108.46) = 100.000%  kept
    Distance limit 5.28 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 = 1.58, residual support = 108.5:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.858% * 99.6573% (1.00  10.0   1.58 108.46) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   7.89 +/- 0.52   0.110% *  0.0768% (0.61   1.0   0.02   0.82) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.45 +/- 0.79   0.012% *  0.0819% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  12.57 +/- 4.03   0.020% *  0.0282% (0.22   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.32 +/- 1.01   0.000% *  0.1242% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  19.23 +/- 0.92   0.000% *  0.0316% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 5.32 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 = 0.923, support = 1.47, residual support = 9.6:
        T QG1   VAL   43 - HH2   TRP   27   3.06 +/- 0.38  97.511% * 99.3880% (0.92 10.00   1.47   9.60) =  99.998%  kept
          QD2   LEU   73 - HH2   TRP   27   7.16 +/- 1.20   1.344% *  0.0715% (0.49  1.00   0.02  23.92) =   0.001%
          HG    LEU   31 - HH2   TRP   27   7.28 +/- 0.53   0.615% *  0.0950% (0.65  1.00   0.02  12.25) =   0.001%
          QG1   VAL   41 - HH2   TRP   27   8.30 +/- 0.95   0.282% *  0.1466% (1.00  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  10.16 +/- 1.10   0.118% *  0.0891% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.58 +/- 0.86   0.045% *  0.1067% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  12.00 +/- 0.69   0.033% *  0.0408% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  12.19 +/- 1.32   0.034% *  0.0257% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  13.56 +/- 1.53   0.020% *  0.0366% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 2.95, residual support = 9.57:
        T QG1   VAL   43 - HZ3   TRP   27   4.05 +/- 0.72  88.148% * 93.6769% (0.92 10.00   2.96   9.60) =  99.743%  kept
          QD2   LEU   73 - HZ3   TRP   27   7.03 +/- 1.17   7.056% *  1.8523% (0.49  1.00   0.75  23.92) =   0.158%
          HG    LEU   31 - HZ3   TRP   27   8.06 +/- 0.66   1.919% *  4.1630% (0.65  1.00   1.27  12.25) =   0.096%
          QG2   THR   46 - HZ3   TRP   27   8.81 +/- 1.06   1.423% *  0.0616% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HZ3   TRP   27   9.24 +/- 1.00   0.690% *  0.1013% (1.00  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HZ3   TRP   27  10.90 +/- 0.92   0.346% *  0.0737% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27  11.34 +/- 0.61   0.259% *  0.0282% (0.28  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  13.68 +/- 1.57   0.091% *  0.0253% (0.25  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  13.94 +/- 1.28   0.068% *  0.0178% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 2.66, residual support = 22.7:
        T QD1   LEU   73 - HZ3   TRP   27   5.31 +/- 0.87  30.869% * 94.4400% (0.90 10.00   2.75  23.92) =  93.816%  kept
          QD2   LEU   80 - HZ3   TRP   27   7.50 +/- 5.36  50.693% *  3.7366% (0.53  1.00   1.35   3.60) =   6.096%  kept
          QD1   LEU   80 - HZ3   TRP   27   8.78 +/- 4.85   6.384% *  0.3609% (0.15  1.00   0.44   3.60) =   0.074%
        T QD1   LEU   63 - HZ3   TRP   27  12.13 +/- 1.31   0.164% *  0.9444% (0.90 10.00   0.02   0.02) =   0.005%
          QG2   VAL   41 - HZ3   TRP   27   7.38 +/- 1.00   4.193% *  0.0293% (0.28  1.00   0.02   0.02) =   0.004%
          QD2   LEU   98 - HZ3   TRP   27   7.20 +/- 1.53   7.549% *  0.0162% (0.15  1.00   0.02   0.02) =   0.004%
        T QD1   LEU  104 - HZ3   TRP   27  14.28 +/- 0.93   0.042% *  0.3250% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  13.22 +/- 1.20   0.087% *  0.0880% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  15.78 +/- 1.27   0.020% *  0.0596% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 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 = 0.788, support = 1.57, residual support = 11.0:
        T QD2   LEU   31 - HZ3   TRP   27   6.32 +/- 0.52  26.179% * 95.5238% (0.76 10.00   1.69  12.25) =  89.629%  kept
          QG2   VAL   83 - HZ3   TRP   27   5.37 +/- 2.80  66.335% *  4.3477% (1.00  1.00   0.59   0.66) =  10.337%  kept
          QD1   ILE   89 - HZ3   TRP   27   7.79 +/- 1.47   7.486% *  0.1285% (0.87  1.00   0.02   0.02) =   0.034%
    Distance limit 4.66 A violated in 4 structures by 0.34 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.854, support = 1.28, residual support = 7.75:
          QD2   LEU   31 - HH2   TRP   27   5.79 +/- 0.54  37.069% * 70.0610% (0.76   1.74  12.25) =  61.156%  kept
          QG2   VAL   83 - HH2   TRP   27   6.45 +/- 3.23  56.632% * 29.0264% (1.00   0.55   0.66) =  38.708%  kept
          QD1   ILE   89 - HH2   TRP   27   8.13 +/- 1.72   6.299% *  0.9126% (0.87   0.02   0.02) =   0.135%
    Distance limit 4.64 A violated in 2 structures by 0.21 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.928, support = 2.25, residual support = 19.8:
          QD1   LEU   73 - HH2   TRP   27   5.50 +/- 0.73  34.046% * 65.3705% (1.00   2.47  23.92) =  80.543%  kept
          QD2   LEU   80 - HH2   TRP   27   9.47 +/- 5.36  14.267% * 29.9420% (0.76   1.48   3.60) =  15.460%  kept
          QG1   VAL   83 - HH2   TRP   27   7.06 +/- 3.50  35.593% *  3.0637% (0.15   0.75   0.66) =   3.946%  kept
          QG2   VAL   41 - HH2   TRP   27   6.50 +/- 0.99  15.299% *  0.0717% (0.14   0.02   0.02) =   0.040%
          QD1   LEU   63 - HH2   TRP   27  11.63 +/- 1.41   0.361% *  0.5283% (1.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HH2   TRP   27  12.55 +/- 1.21   0.204% *  0.3212% (0.61   0.02   0.02) =   0.002%
          QD1   LEU  104 - HH2   TRP   27  12.71 +/- 0.96   0.174% *  0.2786% (0.53   0.02   0.02) =   0.002%
          QD2   LEU  115 - HH2   TRP   27  15.18 +/- 1.24   0.056% *  0.4240% (0.80   0.02   0.02) =   0.001%
    Distance limit 5.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.32, residual support = 108.5:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.32 108.46) = 100.000%  kept
    Distance limit 3.99 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   5.36 +/- 0.29  92.477% * 98.1449% (0.87   2.55  52.86) =  99.932%  kept
          HZ2   TRP   87 - HZ2   TRP   27  11.46 +/- 3.65   6.438% *  0.8693% (0.98   0.02   0.02) =   0.062%
          QE    PHE   60 - HZ2   TRP   27  11.92 +/- 1.17   0.939% *  0.6092% (0.69   0.02   0.02) =   0.006%
          HN    LEU   63 - HZ2   TRP   27  16.70 +/- 1.00   0.105% *  0.2212% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  19.37 +/- 1.04   0.042% *  0.1553% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 1 structures by 0.26 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.84, residual support = 108.5:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.84 108.46) = 100.000%  kept
    Distance limit 5.02 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  10.97 +/- 3.34 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 4.93 A violated in 20 structures by 6.03 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.752, support = 1.81, residual support = 10.5:
        T QG2   VAL   43 - HZ2   TRP   27   3.33 +/- 0.80  72.816% * 40.5297% (0.90 10.00   0.74   9.60) =  64.609%  kept
        T QD2   LEU   31 - HZ2   TRP   27   4.02 +/- 0.48  27.184% * 59.4703% (0.49 10.00   3.76  12.25) =  35.391%  kept
    Distance limit 4.44 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 = 0.902, support = 1.02, residual support = 6.41:
        T QD1   ILE   89 - QD    PHE   45   3.59 +/- 0.21  67.951% * 89.2293% (0.90 10.00   1.02   6.67) =  94.724%  kept
          QG2   VAL   83 - QD    PHE   45   4.45 +/- 0.98  31.772% * 10.6286% (1.00  1.00   1.09   1.70) =   5.276%  kept
          QD2   LEU   31 - QD    PHE   45   9.06 +/- 0.69   0.277% *  0.1421% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.971, support = 2.22, residual support = 4.85:
          QD1   ILE   89 - QE    PHE   45   3.70 +/- 0.60  43.281% * 68.9353% (0.97   2.80   6.67) =  63.359%  kept
          QG2   VAL   83 - QE    PHE   45   3.73 +/- 1.62  56.096% * 30.7549% (0.98   1.23   1.70) =  36.637%  kept
          QD2   LEU   31 - QE    PHE   45   7.75 +/- 0.81   0.622% *  0.3098% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.1:
        T QG1   VAL   75 - QD    PHE   45   2.79 +/- 0.54  99.919% * 99.9034% (1.00 10.00   3.10  18.06) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.22 +/- 1.33   0.081% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.13, residual support = 18.1:
        T HB    VAL   75 - QD    PHE   45   3.62 +/- 0.96  96.783% * 99.7392% (0.99 10.00   2.13  18.06) =  99.999%  kept
          HG3   LYS+  74 - QD    PHE   45   8.33 +/- 0.54   1.251% *  0.0378% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   45  10.20 +/- 0.96   0.779% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.38 +/- 0.61   0.401% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  11.04 +/- 1.32   0.508% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  12.03 +/- 1.23   0.163% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  13.64 +/- 0.93   0.115% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 2 structures by 0.14 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.632, support = 2.72, residual support = 9.69:
        T QG2   THR   77 - QD    PHE   45   2.95 +/- 0.48  89.415% * 76.1631% (0.65 10.00   2.66   9.36) =  96.682%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.45 +/- 0.11  10.029% * 23.2995% (0.20 10.00   4.46  19.47) =   3.317%  kept
          QB    ALA   88 - QD    PHE   45   9.01 +/- 0.56   0.156% *  0.1136% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    PHE   45   8.92 +/- 2.34   0.306% *  0.0442% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  10.85 +/- 1.12   0.055% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  12.86 +/- 1.14   0.018% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  13.29 +/- 0.88   0.015% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.96 +/- 0.89   0.003% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  20.19 +/- 0.97   0.001% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.789, support = 0.75, residual support = 26.7:
          QG2   THR   94 - QD    PHE   45   3.58 +/- 0.84  93.882% * 67.1270% (0.80   0.75  27.19) =  97.620%  kept
          HG12  ILE   89 - QD    PHE   45   6.25 +/- 0.31   5.927% * 25.8744% (0.31   0.75   6.67) =   2.376%  kept
          HB3   LEU   71 - QD    PHE   45  13.36 +/- 1.31   0.070% *  2.2157% (0.99   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD    PHE   45  12.95 +/- 1.03   0.079% *  0.8390% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  15.79 +/- 1.82   0.021% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  15.66 +/- 1.34   0.021% *  1.7084% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.83 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 = 18.1:
        T QG1   VAL   75 - QE    PHE   45   2.96 +/- 0.36  99.954% * 99.9191% (0.90 10.00   2.43  18.06) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.54 +/- 1.44   0.046% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.581, support = 0.67, residual support = 5.94:
          HB    ILE   89 - QE    PHE   45   5.94 +/- 1.42  11.812% * 94.4406% (0.61   0.75   6.67) =  89.063%  kept
          HB    VAL   43 - QE    PHE   45   3.58 +/- 0.95  87.596% *  1.5584% (0.38   0.02   0.02) =  10.898%  kept
          QG1   ILE   56 - QE    PHE   45  10.12 +/- 1.53   0.396% *  0.6407% (0.15   0.02   0.02) =   0.020%
          QD    LYS+  81 - QE    PHE   45  12.17 +/- 1.44   0.123% *  1.2816% (0.31   0.02   0.02) =   0.013%
          HB2   LYS+  99 - QE    PHE   45  14.68 +/- 1.15   0.034% *  1.1545% (0.28   0.02   0.02) =   0.003%
          HB3   LYS+  99 - QE    PHE   45  14.36 +/- 1.20   0.038% *  0.9244% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 8.89:
          HB3   MET   96 - QE    PHE   45   4.61 +/- 1.49  98.206% * 93.6215% (0.45   2.00   8.89) =  99.972%  kept
          HB    VAL   18 - QE    PHE   45  11.95 +/- 0.93   1.091% *  1.4345% (0.69   0.02   0.02) =   0.017%
          HB2   LEU   40 - QE    PHE   45  14.31 +/- 0.69   0.254% *  1.7444% (0.84   0.02   0.02) =   0.005%
          HB3   ARG+  54 - QE    PHE   45  15.86 +/- 0.69   0.171% *  1.9278% (0.92   0.02   0.02) =   0.004%
          HB2   LEU   67 - QE    PHE   45  15.03 +/- 1.06   0.230% *  0.8586% (0.41   0.02   0.02) =   0.002%
          HB3   GLU-  14 - QE    PHE   45  20.16 +/- 1.09   0.047% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 5 structures by 0.47 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.23, support = 1.87, residual support = 8.74:
        T HB2   MET   96 - QE    PHE   45   5.32 +/- 1.64  72.484% * 81.3900% (0.22 10.00   1.89   8.89) =  98.297%  kept
          HB3   ASP-  76 - QE    PHE   45   9.02 +/- 0.52   5.824% * 16.2601% (0.73  1.00   1.16   0.41) =   1.578%  kept
          HG3   MET   92 - QE    PHE   45   9.25 +/- 2.43  15.136% *  0.3738% (0.97  1.00   0.02   0.02) =   0.094%
        T HB3   PHE   72 - QE    PHE   45  10.89 +/- 0.86   1.541% *  0.6783% (0.18 10.00   0.02   0.02) =   0.017%
          QG    GLN   90 - QE    PHE   45   9.34 +/- 0.88   3.287% *  0.0862% (0.22  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  29 - QE    PHE   45  13.54 +/- 1.21   0.710% *  0.3473% (0.90  1.00   0.02   0.02) =   0.004%
          HB2   ASP- 105 - QE    PHE   45  12.14 +/- 1.05   0.613% *  0.3575% (0.92  1.00   0.02   0.02) =   0.004%
          HG12  ILE  119 - QE    PHE   45  13.93 +/- 1.45   0.230% *  0.2038% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   45  17.77 +/- 1.17   0.085% *  0.2505% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  19.01 +/- 1.85   0.090% *  0.0524% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.29 A violated in 6 structures by 0.59 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.7:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  86.504% * 99.8696% (0.53  10.0 10.00   1.00  80.71) =  99.980%  kept
          HZ3   TRP   27 - QE    PHE   45   3.76 +/- 1.08  13.496% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.020%
    Distance limit 4.01 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 = 3.61, residual support = 80.7:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.61  80.71) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.91 +/- 1.85   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  18.92 +/- 1.54   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.66 +/- 1.09   0.000% *  0.0305% (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 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 8.89:
          HB3   MET   96 - QD    PHE   45   5.69 +/- 1.00  94.810% * 96.5078% (0.80   2.00   8.89) =  99.972%  kept
          HB    VAL   18 - QD    PHE   45  10.97 +/- 0.88   3.336% *  0.4111% (0.34   0.02   0.02) =   0.015%
          HB3   ARG+  54 - QD    PHE   45  13.71 +/- 0.68   0.764% *  0.7311% (0.61   0.02   0.02) =   0.006%
          HB2   LEU   40 - QD    PHE   45  14.85 +/- 0.41   0.408% *  1.2053% (1.00   0.02   0.02) =   0.005%
          HB2   LEU   67 - QD    PHE   45  14.49 +/- 0.98   0.588% *  0.1860% (0.15   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD    PHE   45  19.95 +/- 1.09   0.086% *  0.5867% (0.49   0.02   0.02) =   0.001%
          HG3   MET   11 - QD    PHE   45  29.27 +/- 1.53   0.008% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.24 A violated in 6 structures by 0.64 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.864, support = 1.89, residual support = 7.22:
          HB2   MET   96 - QD    PHE   45   6.51 +/- 1.19  52.115% * 51.4520% (0.87   2.00   8.89) =  80.424%  kept
          HB3   ASP-  76 - QD    PHE   45   8.03 +/- 0.45  12.916% * 44.2014% (0.92   1.61   0.41) =  17.124%  kept
          HG3   MET   92 - QD    PHE   45   7.61 +/- 2.23  31.822% *  2.5420% (0.34   0.25   0.02) =   2.426%  kept
          HB2   ASP- 105 - QD    PHE   45  12.24 +/- 0.84   0.988% *  0.4307% (0.73   0.02   0.02) =   0.013%
          HB2   GLU-  25 - QD    PHE   45  13.03 +/- 1.34   0.994% *  0.1649% (0.28   0.02   0.02) =   0.005%
          HB    VAL   70 - QD    PHE   45  14.47 +/- 0.66   0.359% *  0.2659% (0.45   0.02   0.02) =   0.003%
          QG    GLN   17 - QD    PHE   45  14.56 +/- 0.57   0.351% *  0.2226% (0.38   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QD    PHE   45  14.85 +/- 0.88   0.378% *  0.1479% (0.25   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QD    PHE   45  18.99 +/- 1.06   0.076% *  0.5724% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 3 structures by 0.33 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.04, residual support = 80.7:
      O T HB3   PHE   45 - QD    PHE   45   2.35 +/- 0.10  99.912% * 99.5701% (0.80  10.0 10.00   5.04  80.71) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   9.10 +/- 1.04   0.040% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.74 +/- 0.69   0.041% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  14.09 +/- 1.90   0.003% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.91 +/- 1.05   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  13.92 +/- 1.10   0.003% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.33, residual support = 80.7:
      O T HB2   PHE   45 - QD    PHE   45   2.70 +/- 0.05  99.913% * 99.8423% (0.97  10.0 10.00   4.33  80.71) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   9.43 +/- 1.01   0.071% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  12.52 +/- 1.25   0.016% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.29 +/- 0.76  98.870% * 93.8952% (0.69   2.96  27.19) =  99.993%  kept
          QB    SER   48 - QD    PHE   45   9.24 +/- 0.67   0.504% *  0.7403% (0.80   0.02   0.02) =   0.004%
          QB    SER   85 - QD    PHE   45  10.66 +/- 0.86   0.138% *  0.8745% (0.95   0.02   0.02) =   0.001%
          HA    ALA   88 - QD    PHE   45   9.84 +/- 0.64   0.262% *  0.1426% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    PHE   45  10.67 +/- 1.15   0.127% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.70 +/- 0.84   0.029% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.22 +/- 0.77   0.013% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.12 +/- 1.04   0.027% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.71 +/- 0.65   0.007% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.99 +/- 1.01   0.007% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.58 +/- 1.30   0.007% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  17.00 +/- 0.86   0.010% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.36, residual support = 19.4:
          HA    ASP-  44 - QD    PHE   45   3.01 +/- 0.57  94.368% * 81.8966% (0.34   4.39  19.47) =  99.123%  kept
          HB    THR   77 - QD    PHE   45   5.35 +/- 0.72   5.299% * 12.8711% (0.28   0.85   9.36) =   0.875%  kept
          HA    ASP-  86 - QD    PHE   45  11.00 +/- 0.87   0.074% *  1.0721% (0.98   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   9.73 +/- 0.54   0.148% *  0.1688% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   45  10.93 +/- 0.74   0.067% *  0.3041% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  15.04 +/- 0.82   0.009% *  0.9136% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  12.47 +/- 1.06   0.034% *  0.2165% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.96 +/- 0.90   0.001% *  1.0913% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.90 +/- 1.17   0.000% *  1.0555% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  28.66 +/- 1.38   0.000% *  0.4105% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 80.7:
          HA    PHE   45 - QD    PHE   45   2.79 +/- 0.43  99.420% * 96.8419% (0.25   5.04  80.71) =  99.997%  kept
          HA    MET   92 - QD    PHE   45   7.25 +/- 0.86   0.542% *  0.3841% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  11.03 +/- 0.33   0.034% *  1.2335% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - QD    PHE   45  16.68 +/- 1.52   0.004% *  1.5405% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 5.55, residual support = 72.6:
          HN    PHE   45 - QD    PHE   45   2.40 +/- 0.52  83.224% * 56.6329% (0.45   5.74  80.71) =  86.803%  kept
          HN    ASP-  44 - QD    PHE   45   3.78 +/- 0.49  16.722% * 42.8500% (0.45   4.34  19.47) =  13.197%  kept
          HN    ALA  110 - QD    PHE   45   9.70 +/- 1.57   0.031% *  0.3026% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  10.81 +/- 1.21   0.023% *  0.2144% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.7:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.996% * 99.7606% (0.98  10.0   1.00  80.71) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  12.06 +/- 1.15   0.004% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  21.91 +/- 1.24   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.589, support = 4.55, residual support = 57.4:
          HN    TRP   49 - HD1   TRP   49   2.86 +/- 0.74  78.370% * 33.4977% (0.38   4.97  87.07) =  64.694%  kept
          HN    CYS   50 - HD1   TRP   49   4.09 +/- 1.34  21.614% * 66.2844% (0.98   3.77   2.91) =  35.306%  kept
          HN    VAL   83 - HD1   TRP   49  14.99 +/- 2.38   0.016% *  0.2178% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 2.33, residual support = 87.1:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.33  87.07) = 100.000%  kept
    Distance limit 3.94 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 = 87.1:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  87.07) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  19.20 +/- 2.18   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.92 +/- 1.65   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 87.1:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  87.07) = 100.000%  kept
    Distance limit 4.90 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 = 87.1:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  87.07) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  24.40 +/- 2.75   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.935, support = 1.28, residual support = 3.48:
          QG2   VAL   83 - HZ    PHE   45   4.79 +/- 2.16  64.245% * 47.4327% (0.99   1.16   1.70) =  64.149%  kept
          QD1   ILE   89 - HZ    PHE   45   5.56 +/- 0.70  32.773% * 51.9038% (0.84   1.50   6.67) =  35.809%  kept
          QD2   LEU   31 - HZ    PHE   45   8.48 +/- 0.98   2.981% *  0.6634% (0.80   0.02   0.02) =   0.042%
    Distance limit 5.09 A violated in 0 structures by 0.19 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.71, residual support = 87.1:
      O T HB2   TRP   49 - HD1   TRP   49   2.94 +/- 0.32  99.571% * 99.5547% (0.65  10.0 10.00   4.71  87.07) = 100.000%  kept
          HA2   GLY  109 - HD1   TRP   49  13.92 +/- 4.25   0.358% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  11.61 +/- 1.72   0.044% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  14.75 +/- 1.27   0.010% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  14.90 +/- 2.37   0.016% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.99 +/- 2.23   0.001% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  23.61 +/- 2.50   0.001% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 4.71, residual support = 87.1:
      O T HB3   TRP   49 - HD1   TRP   49   3.83 +/- 0.07  99.980% * 99.9191% (0.90  10.0 10.00   4.71  87.07) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.95 +/- 2.25   0.020% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.66, residual support = 14.7:
          QB    ALA   47 - HD1   TRP   49   3.58 +/- 1.29  99.935% * 98.6224% (0.84   2.66  14.74) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.36 +/- 1.57   0.022% *  0.6455% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  16.91 +/- 2.45   0.024% *  0.3336% (0.38   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.07 +/- 1.70   0.019% *  0.3985% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 0.629, support = 0.644, residual support = 1.33:
          HB3   GLN   90 - HZ2   TRP   49   5.43 +/- 3.00  73.144% * 21.3566% (0.45  1.00   0.56   0.57) =  56.570%  kept
          HB3   PRO   52 - HZ2   TRP   49   7.35 +/- 2.02  21.784% * 54.8931% (0.87  1.00   0.75   2.33) =  43.305%  kept
          QB    LYS+  81 - HZ2   TRP   49  13.22 +/- 3.45   4.412% *  0.6334% (0.38  1.00   0.02   0.02) =   0.101%
          HG2   ARG+  54 - HZ2   TRP   49  11.91 +/- 1.31   0.312% *  1.1592% (0.69  1.00   0.02   0.02) =   0.013%
          QB    LYS+ 106 - HZ2   TRP   49  15.87 +/- 2.74   0.286% *  0.5756% (0.34  1.00   0.02   0.02) =   0.006%
        T HG    LEU  123 - HZ2   TRP   49  26.33 +/- 2.47   0.004% * 14.6382% (0.87 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HZ2   TRP   49  22.34 +/- 2.59   0.016% *  1.0917% (0.65  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HZ2   TRP   49  24.14 +/- 3.15   0.010% *  1.2254% (0.73  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  23.12 +/- 2.87   0.011% *  1.0235% (0.61  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  22.30 +/- 1.90   0.010% *  0.4692% (0.28  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.96 +/- 1.64   0.006% *  0.7566% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.91 +/- 1.19   0.002% *  0.8878% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  29.91 +/- 1.90   0.001% *  1.2897% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 1 structures by 0.07 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.7:
          QB    ALA   47 - HZ2   TRP   49   4.33 +/- 0.46  99.272% * 98.0051% (0.69   2.03  14.74) =  99.997%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  15.44 +/- 2.87   0.609% *  0.3498% (0.25   0.02   0.02) =   0.002%
          QG1   VAL   42 - HZ2   TRP   49  15.78 +/- 1.41   0.086% *  0.7942% (0.57   0.02   0.02) =   0.001%
          QB    ALA   64 - HZ2   TRP   49  17.72 +/- 1.29   0.033% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.363, support = 0.719, residual support = 2.23:
          HG2   PRO   52 - HH2   TRP   49   5.10 +/- 1.67  60.138% * 73.0242% (0.34   0.75   2.33) =  95.708%  kept
          HG2   MET   92 - HH2   TRP   49   6.73 +/- 3.13  39.513% *  4.9520% (0.87   0.02   0.02) =   4.264%  kept
          HB2   GLU-  79 - HH2   TRP   49  15.88 +/- 3.01   0.169% *  4.1454% (0.73   0.02   0.02) =   0.015%
          QG    GLU- 114 - HH2   TRP   49  15.09 +/- 2.65   0.102% *  4.5712% (0.80   0.02   0.02) =   0.010%
          HB2   ASP-  44 - HH2   TRP   49  16.42 +/- 1.95   0.067% *  0.9998% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HH2   TRP   49  25.37 +/- 2.04   0.006% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  27.43 +/- 1.74   0.003% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  36.35 +/- 2.06   0.001% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  29.55 +/- 1.66   0.002% *  0.8808% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  37.69 +/- 1.81   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.756, support = 1.57, residual support = 1.86:
          HB3   PRO   52 - HH2   TRP   49   7.08 +/- 2.01  36.226% * 77.7731% (0.87   1.86   2.33) =  73.443%  kept
          HB3   GLN   90 - HH2   TRP   49   5.97 +/- 3.54  62.892% * 16.1914% (0.45   0.75   0.57) =  26.545%  kept
          HG2   ARG+  54 - HH2   TRP   49  11.92 +/- 1.16   0.435% *  0.6615% (0.69   0.02   0.02) =   0.007%
          QB    LYS+  81 - HH2   TRP   49  14.28 +/- 3.51   0.249% *  0.3614% (0.38   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HH2   TRP   49  16.25 +/- 2.56   0.149% *  0.3285% (0.34   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HH2   TRP   49  22.64 +/- 2.52   0.012% *  0.6230% (0.65   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.66 +/- 3.15   0.008% *  0.6993% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.74 +/- 2.89   0.009% *  0.5841% (0.61   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  26.45 +/- 2.92   0.004% *  0.8354% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.59 +/- 1.98   0.009% *  0.2678% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  24.74 +/- 2.21   0.005% *  0.4318% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.74 +/- 1.53   0.002% *  0.5067% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  30.40 +/- 2.17   0.001% *  0.7360% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.25, residual support = 20.1:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.01  99.690% * 99.2903% (0.25  10.0   2.25  20.08) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.59 +/- 0.83   0.177% *  0.2415% (0.61   1.0   0.02   3.55) =   0.000%
          HD3   PRO   93 - QD    PHE   55   7.96 +/- 1.33   0.095% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   55   8.11 +/- 0.46   0.038% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.20 +/- 1.47   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.844, support = 1.95, residual support = 19.0:
          HA    PHE   55 - QD    PHE   55   2.90 +/- 0.22  93.454% * 53.1357% (0.84   1.98  20.08) =  94.721%  kept
          HA    ALA  110 - QD    PHE   55   6.11 +/- 1.90   6.052% * 45.7190% (1.00   1.42   0.27) =   5.278%  kept
          HA    ALA   91 - QD    PHE   55  12.24 +/- 2.26   0.416% *  0.1434% (0.22   0.02   0.02) =   0.001%
          HA    GLN   90 - QD    PHE   55  15.16 +/- 2.22   0.029% *  0.6216% (0.97   0.02   0.02) =   0.000%
          HA    VAL  107 - QD    PHE   55  10.90 +/- 1.12   0.047% *  0.2197% (0.34   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.18 +/- 1.08   0.003% *  0.1606% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 0.647, support = 0.997, residual support = 1.64:
          QB    ALA  110 - QD    PHE   55   4.72 +/- 1.79  80.391% * 24.0825% (0.80  1.00   0.42   0.27) =  68.823%  kept
          HB3   LEU  115 - QD    PHE   55   6.83 +/- 1.18  17.228% * 50.5596% (0.31  1.00   2.29   4.69) =  30.966%  kept
        T QG    LYS+  66 - QD    PHE   55  13.94 +/- 1.40   0.233% * 13.5596% (0.95 10.00   0.02   0.02) =   0.112%
          QB    ALA   61 - QD    PHE   55   9.68 +/- 0.61   1.760% *  1.3834% (0.97  1.00   0.02   0.02) =   0.087%
        T HG    LEU   67 - QD    PHE   55  18.41 +/- 1.26   0.040% *  3.1913% (0.22 10.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QD    PHE   55  18.38 +/- 0.94   0.040% *  1.4334% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD    PHE   55  19.59 +/- 0.79   0.036% *  1.1478% (0.80  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  16.35 +/- 1.47   0.088% *  0.2837% (0.20  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD    PHE   55  22.30 +/- 2.02   0.020% *  1.1973% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD    PHE   55  17.40 +/- 0.93   0.075% *  0.2510% (0.18  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD    PHE   55  22.31 +/- 1.31   0.017% *  1.0409% (0.73  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD    PHE   55  20.51 +/- 1.76   0.038% *  0.4424% (0.31  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   55  20.00 +/- 1.31   0.027% *  0.4424% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.82 +/- 1.49   0.008% *  0.9846% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 4 structures by 0.42 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.28, residual support = 4.69:
          QD2   LEU  115 - QD    PHE   55   5.91 +/- 1.12  89.165% * 89.4400% (0.87  1.00   2.28   4.69) =  99.877%  kept
          QD1   LEU   63 - QD    PHE   55   9.69 +/- 1.07   7.470% *  0.9022% (1.00  1.00   0.02   0.02) =   0.084%
        T QD2   LEU   80 - QD    PHE   55  17.86 +/- 1.93   0.205% *  7.5525% (0.84 10.00   0.02   0.02) =   0.019%
          QD2   LEU   63 - QD    PHE   55  11.38 +/- 0.97   2.547% *  0.4757% (0.53  1.00   0.02   0.02) =   0.015%
          QD1   LEU   73 - QD    PHE   55  17.35 +/- 0.80   0.201% *  0.9022% (1.00  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QD    PHE   55  17.46 +/- 0.98   0.190% *  0.5484% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   55  17.41 +/- 1.81   0.222% *  0.1789% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 11 structures by 1.21 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   4.61 +/- 2.04  99.618% * 72.5341% (0.99   0.02   0.02) =  99.855%  kept
          HB3   TRP   49 - QE    PHE   95  15.55 +/- 2.35   0.382% * 27.4659% (0.38   0.02   0.02) =   0.145%
    Distance limit 4.75 A violated in 5 structures by 0.79 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 = 0.308, support = 2.59, residual support = 41.2:
          HB    VAL  107 - QE    PHE   95   4.45 +/- 0.52  80.796% * 34.9815% (0.28  1.00   2.86  45.81) =  89.635%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.31 +/- 1.24   6.112% * 37.4250% (0.57 10.00   0.15   0.02) =   7.254%  kept
          HB3   PHE   45 - QE    PHE   95   8.36 +/- 1.82   5.445% *  7.0534% (0.69  1.00   0.23   1.89) =   1.218%  kept
        T QE    LYS+ 112 - QE    PHE   95   9.14 +/- 2.74   5.570% *  6.0459% (0.69 10.00   0.02   0.02) =   1.068%  kept
          HG3   MET   96 - QE    PHE   95   9.22 +/- 1.16   2.033% * 12.7833% (0.20  1.00   1.47  11.99) =   0.824%  kept
          HB3   ASP-  86 - QE    PHE   95  17.33 +/- 1.96   0.033% *  0.8326% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  20.11 +/- 1.03   0.012% *  0.8782% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.33 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 = 0.581, support = 0.582, residual support = 0.687:
          QG1   ILE   56 - QE    PHE   95   3.57 +/- 2.15  79.648% * 35.9521% (0.53   0.60   0.78) =  87.323%  kept
          QD    LYS+ 106 - QE    PHE   95   9.01 +/- 1.24   7.517% * 53.0640% (1.00   0.47   0.02) =  12.164%  kept
          QD    LYS+  99 - QE    PHE   95  12.98 +/- 2.41   2.261% *  2.2737% (1.00   0.02   0.02) =   0.157%
          HG3   PRO   93 - QE    PHE   95   6.98 +/- 2.12   4.851% *  0.8533% (0.38   0.02   0.02) =   0.126%
          HB2   LEU   73 - QE    PHE   95  10.06 +/- 0.93   0.898% *  2.0989% (0.92   0.02   0.02) =   0.057%
          HD2   LYS+ 111 - QE    PHE   95  10.39 +/- 1.85   0.967% *  1.5618% (0.69   0.02   0.02) =   0.046%
          HB2   LEU  123 - QE    PHE   95  11.31 +/- 1.70   1.474% *  0.9347% (0.41   0.02   0.02) =   0.042%
          HB3   MET   92 - QE    PHE   95   9.18 +/- 1.77   0.733% *  1.8206% (0.80   0.02   0.02) =   0.041%
          HB3   LYS+  99 - QE    PHE   95  12.93 +/- 2.22   1.416% *  0.9347% (0.41   0.02   0.02) =   0.040%
          QD    LYS+ 102 - QE    PHE   95  15.53 +/- 1.98   0.236% *  0.5062% (0.22   0.02   0.02) =   0.004%
    Distance limit 5.16 A violated in 2 structures by 0.25 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.68, support = 2.59, residual support = 45.2:
          QG2   VAL  107 - QE    PHE   95   3.60 +/- 1.17  88.606% * 73.2422% (0.69  1.00   2.61  45.81) =  97.919%  kept
          QG2   THR   94 - QE    PHE   95   6.25 +/- 0.56   5.617% * 24.0120% (0.34  1.00   1.73  14.40) =   2.035%  kept
          HG13  ILE  103 - QE    PHE   95  11.15 +/- 1.84   1.721% *  0.8143% (1.00  1.00   0.02   0.02) =   0.021%
          HG2   LYS+ 121 - QE    PHE   95  11.07 +/- 2.40   3.526% *  0.3659% (0.45  1.00   0.02   0.02) =   0.019%
        T QB    ALA   20 - QE    PHE   95  11.62 +/- 1.07   0.212% *  1.2593% (0.15 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 112 - QE    PHE   95   9.49 +/- 2.24   0.318% *  0.3063% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 5.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.903, support = 1.86, residual support = 4.41:
          QD2   LEU  115 - QE    PHE   95   4.68 +/- 1.66  41.356% * 54.7577% (0.87  1.00   2.36   4.59) =  60.491%  kept
          QD1   LEU   63 - QE    PHE   95   3.65 +/- 1.14  45.109% * 29.9235% (1.00  1.00   1.12   4.15) =  36.057%  kept
          QD2   LEU   63 - QE    PHE   95   5.06 +/- 1.64  12.981% *  9.8911% (0.53  1.00   0.70   4.15) =   3.430%  kept
        T QD2   LEU   80 - QE    PHE   95  13.35 +/- 3.16   0.160% *  4.4645% (0.84 10.00   0.02   0.02) =   0.019%
          QD1   LEU   73 - QE    PHE   95   9.41 +/- 0.64   0.166% *  0.5333% (1.00  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QE    PHE   95  10.16 +/- 2.23   0.157% *  0.3242% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  12.65 +/- 1.95   0.070% *  0.1058% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.342, support = 1.49, residual support = 4.57:
        T QD1   LEU  115 - QE    PHE   95   4.52 +/- 2.21  75.499% * 98.2903% (0.34 10.00   1.50   4.59) =  99.497%  kept
          QB    ALA   64 - QE    PHE   95   6.62 +/- 1.30  22.910% *  1.6336% (0.57  1.00   0.15   0.02) =   0.502%  kept
          QG1   VAL   75 - QE    PHE   95   8.63 +/- 1.34   1.591% *  0.0760% (0.20  1.00   0.02   0.02) =   0.002%
    Distance limit 4.79 A violated in 3 structures by 0.25 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.12, residual support = 71.8:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.112% * 99.6228% (0.84  10.0   1.12  71.84) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   4.99 +/- 0.37   0.886% *  0.0327% (0.15   1.0   0.02  11.67) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.28 +/- 0.62   0.001% *  0.1541% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  17.44 +/- 1.58   0.001% *  0.1903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.81, residual support = 71.8:
      O T HB3   PHE   60 - QD    PHE   60   2.62 +/- 0.14  99.705% * 99.7227% (0.73  10.0 10.00   3.81  71.84) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   7.77 +/- 1.06   0.238% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.56 +/- 1.58   0.023% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.59 +/- 1.39   0.019% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.84 +/- 0.73   0.013% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.78 +/- 1.56   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.45 +/- 1.20   0.001% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.957, support = 1.11, residual support = 3.52:
          QD1   ILE   56 - QD    PHE   60   5.32 +/- 1.56  77.038% * 47.8357% (0.99  1.00   1.06   4.10) =  78.568%  kept
          QD2   LEU   73 - QD    PHE   60   7.84 +/- 1.24  20.307% * 49.3246% (0.84  1.00   1.30   1.38) =  21.354%  kept
        T QG1   VAL   41 - QD    PHE   60  11.02 +/- 1.19   2.041% *  1.5914% (0.18 10.00   0.02   0.02) =   0.069%
          HG3   LYS+ 121 - QD    PHE   60  13.98 +/- 1.34   0.329% *  0.6242% (0.69  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - QD    PHE   60  14.76 +/- 0.90   0.286% *  0.6242% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 4.33 A violated in 10 structures by 0.94 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.8, residual support = 2.77:
          QB    ALA   64 - QD    PHE   60   4.23 +/- 1.27 100.000% *100.0000% (0.95   1.80   2.77) = 100.000%  kept
    Distance limit 4.26 A violated in 5 structures by 0.50 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.1, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   2.88 +/- 0.85  99.890% * 99.3279% (0.97   4.10  62.64) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97  10.72 +/- 0.95   0.091% *  0.4847% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.87 +/- 0.99   0.018% *  0.0994% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  24.27 +/- 2.42   0.001% *  0.0880% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.04 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 = 0.674, support = 0.823, residual support = 1.14:
          HA    THR  118 - QD    PHE   97   6.49 +/- 1.45  64.120% * 37.8044% (0.61   0.75   1.66) =  56.777%  kept
          HA    ILE  119 - QD    PHE   97   7.65 +/- 2.09  31.554% * 58.3952% (0.76   0.92   0.45) =  43.159%  kept
          HA    VAL   75 - QD    PHE   97  13.86 +/- 1.00   1.256% *  0.8745% (0.53   0.02   0.02) =   0.026%
          HA2   GLY  109 - QD    PHE   97  13.26 +/- 0.90   1.687% *  0.5130% (0.31   0.02   0.02) =   0.020%
          HD3   PRO   58 - QD    PHE   97  14.14 +/- 1.57   0.991% *  0.4621% (0.28   0.02   0.02) =   0.011%
          HA    ALA   84 - QD    PHE   97  18.24 +/- 1.72   0.328% *  0.8090% (0.49   0.02   0.02) =   0.006%
          HB2   TRP   49 - QD    PHE   97  22.17 +/- 1.54   0.064% *  1.1417% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 12 structures by 1.37 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   2.50 +/- 0.18  95.960% * 99.6874% (0.90  10.0 10.00   2.44  62.64) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   97   5.90 +/- 1.52   2.835% *  0.1051% (0.95   1.0  1.00   0.02   9.99) =   0.003%
          QE    LYS+  99 - QD    PHE   97   6.50 +/- 1.64   1.170% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97  10.66 +/- 1.85   0.028% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.63 +/- 0.72   0.007% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.43 +/- 0.15  99.971% * 99.7112% (1.00  10.0 10.00   2.74  62.64) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.79 +/- 1.17   0.018% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.37 +/- 1.03   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.80 +/- 1.88   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.49 +/- 1.28   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 0.996, residual support = 2.34:
          QG1   VAL  107 - QD    PHE   97   5.61 +/- 1.06  88.374% * 60.2931% (0.84   0.99   2.44) =  95.366%  kept
          HG13  ILE  119 - QD    PHE   97   9.09 +/- 1.88   7.028% * 36.1553% (0.41   1.20   0.45) =   4.548%  kept
          QG1   VAL   24 - QD    PHE   97  12.22 +/- 1.52   1.975% *  1.4624% (1.00   0.02   0.02) =   0.052%
          HB3   LEU   31 - QD    PHE   97  11.68 +/- 1.17   2.376% *  0.6557% (0.45   0.02   0.02) =   0.028%
          HD3   LYS+ 112 - QD    PHE   97  15.65 +/- 1.26   0.246% *  1.4335% (0.98   0.02   0.02) =   0.006%
    Distance limit 4.35 A violated in 12 structures by 1.24 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.697, support = 3.18, residual support = 16.4:
          HB2   LEU  104 - QD    PHE   97   3.66 +/- 1.20  85.252% * 62.8420% (0.69   3.30  17.29) =  94.867%  kept
          QD1   ILE  119 - QD    PHE   97   7.97 +/- 2.00   8.211% * 29.9903% (0.95   1.14   0.45) =   4.360%  kept
          QG2   VAL  108 - QD    PHE   97   7.24 +/- 0.94   6.377% *  6.8312% (0.53   0.47   0.02) =   0.771%  kept
          HB    VAL   75 - QD    PHE   97  11.94 +/- 1.04   0.161% *  0.3365% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.09 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.28, residual support = 1.64:
          QG2   THR  118 - QD    PHE   97   4.71 +/- 1.36  63.604% * 97.4134% (0.20   1.30   1.66) =  98.503%  kept
          QG2   VAL   70 - QD    PHE   97   5.53 +/- 1.84  36.396% *  2.5866% (0.34   0.02   0.02) =   1.497%  kept
    Distance limit 4.68 A violated in 3 structures by 0.33 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.987, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   9.09 +/- 1.91  91.398% * 85.0969% (1.00   0.02   0.02) =  98.378%  kept
          QB    ALA   47 - QD    PHE   97  14.11 +/- 1.10   8.602% * 14.9031% (0.18   0.02   0.02) =   1.622%  kept
    Distance limit 5.04 A violated in 20 structures by 3.87 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.55, residual support = 28.1:
          HN    LEU  115 - QD    PHE   59   5.39 +/- 0.60  88.579% * 98.9242% (0.97   2.55  28.15) =  99.964%  kept
          HN    PHE   97 - QD    PHE   59  10.55 +/- 1.45   2.157% *  0.7759% (0.97   0.02   0.02) =   0.019%
          HN    ASP- 113 - QD    PHE   59   8.10 +/- 0.61   9.255% *  0.1591% (0.20   0.02   0.02) =   0.017%
          HN    ALA   12 - QD    PHE   59  26.13 +/- 1.46   0.008% *  0.1408% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.25 A violated in 2 structures by 0.30 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.9, residual support = 56.1:
          HA    PHE   59 - QD    PHE   59   2.97 +/- 0.44  80.743% * 78.0380% (0.61   3.03  58.17) =  94.531%  kept
          HA    ILE   56 - QD    PHE   59   4.18 +/- 0.78  18.833% * 19.3378% (0.61   0.75  20.76) =   5.464%  kept
          HA    ASP- 113 - QD    PHE   59   8.04 +/- 0.86   0.369% *  0.8483% (1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QD    PHE   59  10.69 +/- 0.93   0.044% *  0.4138% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.40 +/- 1.74   0.008% *  0.6808% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  20.71 +/- 1.86   0.001% *  0.5500% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  20.41 +/- 1.85   0.001% *  0.1312% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 2.17, residual support = 18.0:
        T HA    ILE  119 - QD    PHE   59   5.18 +/- 0.69  82.984% * 57.8065% (1.00 10.00   2.25  18.92) =  89.247%  kept
        T HA    THR  118 - QD    PHE   59   7.10 +/- 0.83  13.747% * 42.0352% (0.95 10.00   1.53  10.45) =  10.751%  kept
          HA2   GLY  109 - QD    PHE   59  10.27 +/- 1.26   2.776% *  0.0398% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD    PHE   59  16.80 +/- 1.10   0.097% *  0.0568% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  14.19 +/- 1.77   0.334% *  0.0115% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  18.10 +/- 1.72   0.062% *  0.0503% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 2 structures by 0.30 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.73, residual support = 58.2:
      O   HB2   PHE   59 - QD    PHE   59   2.49 +/- 0.14  99.637% * 99.6982% (0.97  10.0   2.73  58.17) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   6.98 +/- 0.62   0.241% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.57 +/- 1.38   0.054% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.58 +/- 0.88   0.039% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.62 +/- 1.70   0.018% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.63 +/- 0.90   0.011% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.16, residual support = 58.2:
      O   HB3   PHE   59 - QD    PHE   59   2.43 +/- 0.17  99.999% * 99.9680% (0.97  10.0   3.16  58.17) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.39 +/- 1.17   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.921, support = 2.75, residual support = 32.4:
          HB2   PRO   58 - QD    PHE   59   5.55 +/- 0.96  62.747% * 68.4239% (0.99   2.94  40.47) =  79.734%  kept
          HB2   GLN  116 - QD    PHE   59   6.34 +/- 0.79  35.352% * 30.8480% (0.65   2.03   0.40) =  20.253%  kept
          HB3   PHE   97 - QD    PHE   59  10.75 +/- 1.39   1.845% *  0.3763% (0.80   0.02   0.02) =   0.013%
          HB2   GLU- 100 - QD    PHE   59  19.55 +/- 1.73   0.045% *  0.2472% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  24.16 +/- 1.52   0.011% *  0.1046% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.36 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.8:
        T QG1   ILE   56 - QD    PHE   59   3.23 +/- 0.66  99.699% * 99.7160% (0.97 10.00   1.97  20.76) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.51 +/- 1.04   0.174% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.61 +/- 1.52   0.027% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.30 +/- 1.99   0.065% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.16 +/- 1.50   0.027% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  16.73 +/- 1.78   0.008% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.604, support = 2.42, residual support = 28.1:
          HB3   LEU  115 - QD    PHE   59   2.98 +/- 1.21  73.568% * 71.2238% (0.65   2.35  28.15) =  91.329%  kept
          HG    LEU  115 - QD    PHE   59   3.88 +/- 0.69  22.379% * 22.1481% (0.15   3.07  28.15) =   8.639%  kept
          QB    ALA   61 - QD    PHE   59   6.26 +/- 0.36   1.209% *  0.6424% (0.69   0.02   0.50) =   0.014%
          QG    LYS+  66 - QD    PHE   59   7.99 +/- 1.47   0.469% *  0.9025% (0.97   0.02   0.02) =   0.007%
          QB    ALA  110 - QD    PHE   59   7.17 +/- 1.29   0.722% *  0.4193% (0.45   0.02   0.02) =   0.005%
          QB    ALA  120 - QD    PHE   59   7.50 +/- 0.80   1.491% *  0.1443% (0.15   0.02   0.02) =   0.004%
          HB3   LEU   67 - QD    PHE   59  10.49 +/- 1.02   0.050% *  0.7811% (0.84   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    PHE   59  10.57 +/- 1.06   0.068% *  0.4920% (0.53   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  12.12 +/- 1.59   0.023% *  0.6049% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  13.08 +/- 1.55   0.012% *  0.9331% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  15.91 +/- 1.92   0.005% *  0.3510% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  18.98 +/- 1.90   0.002% *  0.9025% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  20.16 +/- 3.36   0.001% *  0.4552% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.32 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 = 0.495, support = 2.49, residual support = 15.6:
        T HG13  ILE  119 - QD    PHE   59   3.46 +/- 0.60  65.248% * 65.4648% (0.41 10.00   2.98  18.92) =  80.232%  kept
        T QG1   VAL  107 - QD    PHE   59   4.20 +/- 0.79  30.802% * 34.1484% (0.84 10.00   0.51   1.99) =  19.757%  kept
          HD3   LYS+ 112 - QD    PHE   59   8.04 +/- 1.87   3.937% *  0.1561% (0.98  1.00   0.02   0.02) =   0.012%
          QG1   VAL   24 - QD    PHE   59  15.51 +/- 1.92   0.011% *  0.1592% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  19.06 +/- 1.98   0.003% *  0.0714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.902, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.23 +/- 1.06  71.332% * 60.0043% (0.98   0.02   0.02) =  87.447%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.36 +/- 0.97  21.247% * 22.9752% (0.38   0.02   0.02) =   9.973%  kept
          HB3   LEU  104 - QD    PHE   59  12.55 +/- 1.25   7.421% * 17.0205% (0.28   0.02   0.02) =   2.580%  kept
    Distance limit 5.05 A violated in 19 structures by 2.67 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.02, residual support = 26.1:
          QD2   LEU  115 - QD    PHE   59   2.23 +/- 0.85  73.183% * 80.4469% (0.98   4.26  28.15) =  92.735%  kept
          QD1   LEU   63 - QD    PHE   59   2.90 +/- 0.62  25.256% * 18.2537% (0.92   1.03   0.18) =   7.262%  kept
          QD2   LEU   63 - QD    PHE   59   4.51 +/- 0.83   1.554% *  0.1315% (0.34   0.02   0.18) =   0.003%
          QD1   LEU  104 - QD    PHE   59  11.18 +/- 1.28   0.004% *  0.3086% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  12.18 +/- 1.55   0.002% *  0.3558% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  15.97 +/- 3.01   0.001% *  0.3720% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  15.49 +/- 2.28   0.001% *  0.1315% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 3.98, residual support = 28.1:
        T QD1   LEU  115 - QD    PHE   59   3.12 +/- 0.80  98.437% * 99.9042% (0.84 10.00   3.98  28.15) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   7.15 +/- 0.77   1.487% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.54 +/- 1.48   0.076% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.724, support = 1.5, residual support = 28.1:
        T HA    LEU  115 - QE    PHE   59   3.37 +/- 1.17  96.239% * 91.5881% (0.73 10.00   1.50  28.15) =  99.760%  kept
          HA    GLU- 114 - QE    PHE   59   7.18 +/- 0.64   2.814% *  7.4888% (1.00  1.00   0.89   0.02) =   0.238%
        T HA    ARG+  54 - QE    PHE   59  10.92 +/- 0.93   0.326% *  0.3328% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QE    PHE   59   9.25 +/- 1.06   0.592% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  17.75 +/- 2.91   0.010% *  0.1648% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  18.10 +/- 2.61   0.010% *  0.1459% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  18.98 +/- 3.09   0.007% *  0.1155% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  21.58 +/- 2.83   0.003% *  0.1347% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 1 structures by 0.12 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.69, residual support = 10.5:
        T HB    THR  118 - QE    PHE   59   4.01 +/- 1.47  99.883% * 99.7198% (0.95 10.00   1.69  10.45) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  16.83 +/- 2.37   0.035% *  0.0756% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  16.59 +/- 2.37   0.044% *  0.0559% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.56 +/- 2.65   0.014% *  0.0756% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  20.52 +/- 1.65   0.017% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  22.52 +/- 3.67   0.006% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 4 structures by 0.37 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 0.7, residual support = 2.06:
          HB    VAL  107 - QE    PHE   59   4.97 +/- 2.12  65.059% * 71.0011% (0.80   0.73   1.99) =  92.164%  kept
          QE    LYS+ 112 - QE    PHE   59   7.64 +/- 2.72  21.550% * 10.2670% (1.00   0.08   0.02) =   4.415%  kept
          HB3   ASP-  62 - QE    PHE   59   6.18 +/- 0.83  13.010% * 13.1101% (0.14   0.79   6.58) =   3.403%  kept
          HB3   PHE   45 - QE    PHE   59  12.05 +/- 2.70   0.364% *  2.4367% (1.00   0.02   0.02) =   0.018%
          HB3   ASP-  86 - QE    PHE   59  20.57 +/- 3.72   0.008% *  1.0949% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  23.38 +/- 3.04   0.003% *  1.4812% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  20.95 +/- 2.98   0.006% *  0.6089% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.2, residual support = 18.9:
          HG12  ILE  119 - QE    PHE   59   3.05 +/- 0.79  98.370% * 96.1960% (0.73   4.20  18.92) =  99.990%  kept
          HB2   ASP-  44 - QE    PHE   59   8.71 +/- 3.01   1.373% *  0.6253% (0.99   0.02   0.02) =   0.009%
          HB3   PHE   72 - QE    PHE   59  10.77 +/- 2.44   0.147% *  0.6295% (1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   59  12.62 +/- 2.05   0.078% *  0.1573% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  15.30 +/- 1.90   0.019% *  0.5968% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  16.91 +/- 1.87   0.007% *  0.6184% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  19.20 +/- 2.11   0.004% *  0.6295% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  22.07 +/- 2.85   0.001% *  0.2152% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.52 +/- 1.82   0.001% *  0.3319% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.639, support = 2.85, residual support = 10.7:
          HG13  ILE  119 - QE    PHE   59   3.84 +/- 0.91  27.659% * 65.2446% (0.73   3.71  18.92) =  51.756%  kept
          QG1   VAL  107 - QE    PHE   59   3.45 +/- 1.36  62.877% * 25.4993% (0.53   2.00   1.99) =  45.983%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.51 +/- 2.49   9.447% *  8.3444% (0.95   0.36   0.02) =   2.261%  kept
          QG1   VAL   24 - QE    PHE   59  15.54 +/- 2.94   0.007% *  0.4204% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  14.51 +/- 1.93   0.009% *  0.1209% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  18.56 +/- 3.34   0.002% *  0.3704% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.829, support = 2.64, residual support = 25.0:
        T QD2   LEU  115 - QE    PHE   59   2.63 +/- 0.61  55.118% * 84.9190% (0.87 10.00   2.91  28.15) =  88.614%  kept
        T QD1   LEU   63 - QE    PHE   59   3.13 +/- 1.25  44.846% * 13.4094% (0.53 10.00   0.52   0.18) =  11.385%  kept
        T QD1   LEU  104 - QE    PHE   59  10.22 +/- 2.12   0.021% *  0.9768% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QE    PHE   59  12.15 +/- 2.60   0.008% *  0.5151% (0.53 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  16.42 +/- 4.03   0.002% *  0.0878% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  15.71 +/- 3.32   0.002% *  0.0748% (0.76  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  12.68 +/- 2.27   0.005% *  0.0171% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.93, residual support = 27.8:
          QD1   LEU  115 - QE    PHE   59   4.20 +/- 0.61  95.175% * 78.8571% (0.45   2.96  28.15) =  98.828%  kept
          QB    ALA   64 - QE    PHE   59   8.02 +/- 1.22   4.268% * 20.8121% (0.45   0.78   0.02) =   1.170%  kept
          QG1   VAL   75 - QE    PHE   59  11.91 +/- 2.42   0.557% *  0.3308% (0.28   0.02   0.02) =   0.002%
    Distance limit 5.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.81, residual support = 10.5:
          QG2   THR  118 - QE    PHE   59   3.09 +/- 1.44 100.000% *100.0000% (0.80   3.81  10.45) = 100.000%  kept
    Distance limit 4.88 A violated in 1 structures by 0.12 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.12, residual support = 71.8:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  98.968% * 99.6768% (0.99  10.0   1.12  71.84) =  99.999%  kept
          QE    PHE   59 - QE    PHE   60   7.86 +/- 2.07   1.004% *  0.0497% (0.28   1.0   0.02  20.40) =   0.001%
          HN    LYS+  66 - QE    PHE   60   9.14 +/- 1.20   0.028% *  0.1367% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  16.11 +/- 1.28   0.001% *  0.1367% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.836, support = 2.12, residual support = 5.49:
          HB3   PHE   72 - QE    PHE   60   5.82 +/- 2.64  32.174% * 68.3007% (0.87   2.78   7.79) =  67.609%  kept
          HB2   ASP-  44 - QE    PHE   60   4.29 +/- 1.28  63.174% * 16.2332% (0.76   0.75   0.70) =  31.551%  kept
          HG12  ILE  119 - QE    PHE   60  10.01 +/- 1.73   2.009% * 13.1612% (0.98   0.47   0.02) =   0.813%  kept
          HG3   MET   92 - QE    PHE   60  11.86 +/- 2.53   1.717% *  0.3207% (0.57   0.02   0.02) =   0.017%
          QG    GLN   90 - QE    PHE   60  13.94 +/- 1.82   0.203% *  0.5229% (0.92   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   60  12.12 +/- 1.81   0.269% *  0.3664% (0.65   0.02   0.02) =   0.003%
          QG    GLU-  14 - QE    PHE   60  14.47 +/- 1.95   0.119% *  0.4536% (0.80   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QE    PHE   60  13.09 +/- 2.05   0.297% *  0.1261% (0.22   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   60  16.63 +/- 1.42   0.030% *  0.3891% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  21.82 +/- 1.91   0.008% *  0.1261% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.956, support = 1.54, residual support = 3.65:
          HB    VAL   42 - QE    PHE   60   7.29 +/- 2.24  18.809% * 52.8702% (1.00  1.00   1.81   4.76) =  70.888%  kept
          HB3   LEU   73 - QE    PHE   60   7.98 +/- 1.51   8.058% * 33.9436% (0.98  1.00   1.18   1.38) =  19.498%  kept
          HG3   LYS+  65 - QE    PHE   60   8.75 +/- 2.14  10.746% *  6.0229% (1.00  1.00   0.21   0.02) =   4.614%  kept
          HB3   LYS+  74 - QE    PHE   60   6.45 +/- 1.30  26.533% *  2.3934% (0.25  1.00   0.33   0.02) =   4.527%  kept
          HB3   PRO   93 - QE    PHE   60   7.20 +/- 2.69  33.772% *  0.1629% (0.28  1.00   0.02   0.02) =   0.392%
        T QB    ALA   84 - QE    PHE   60  12.48 +/- 1.32   0.351% *  1.4609% (0.25 10.00   0.02   0.02) =   0.037%
          HB2   LYS+ 112 - QE    PHE   60  14.11 +/- 2.35   0.407% *  0.5408% (0.92  1.00   0.02   0.02) =   0.016%
          QB    LEU   98 - QE    PHE   60  11.83 +/- 1.79   0.469% *  0.2852% (0.49  1.00   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - QE    PHE   60  13.69 +/- 1.99   0.253% *  0.4894% (0.84  1.00   0.02   0.02) =   0.009%
          HG3   LYS+  33 - QE    PHE   60  16.76 +/- 1.85   0.072% *  0.5846% (1.00  1.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QE    PHE   60  17.45 +/- 1.96   0.085% *  0.4477% (0.76  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QE    PHE   60  14.69 +/- 2.39   0.196% *  0.1304% (0.22  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    PHE   60  13.23 +/- 1.97   0.228% *  0.1026% (0.18  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QE    PHE   60  19.91 +/- 1.77   0.021% *  0.5654% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 5.28 A violated in 6 structures by 0.60 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 1.06, residual support = 4.1:
        T QD1   ILE   56 - QE    PHE   60   6.53 +/- 2.25  92.110% * 98.4552% (0.20 10.00   1.06   4.10) =  99.928%  kept
          QD2   LEU  123 - QE    PHE   60  12.23 +/- 1.66   6.556% *  0.8647% (0.92  1.00   0.02   0.02) =   0.062%
          HG3   LYS+ 121 - QE    PHE   60  15.09 +/- 1.92   1.334% *  0.6802% (0.73  1.00   0.02   0.02) =   0.010%
    Distance limit 5.50 A violated in 13 structures by 1.61 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.694, support = 1.49, residual support = 3.33:
          QB    ALA   64 - QE    PHE   60   4.58 +/- 1.92  52.581% * 60.8519% (0.84   1.29   2.77) =  71.601%  kept
          QG1   VAL   42 - QE    PHE   60   5.29 +/- 1.75  32.648% * 38.6403% (0.34   2.00   4.76) =  28.231%  kept
          QB    ALA   47 - QE    PHE   60   8.07 +/- 1.70  14.771% *  0.5079% (0.45   0.02   0.02) =   0.168%
    Distance limit 5.06 A violated in 3 structures by 0.23 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.819, support = 1.43, residual support = 3.57:
          HB2   ASP-  44 - QD    PHE   60   4.35 +/- 0.84  77.860% * 20.4548% (0.87   0.65   0.70) =  58.243%  kept
          HB3   PHE   72 - QD    PHE   60   6.34 +/- 1.67  15.632% * 71.0423% (0.76   2.58   7.79) =  40.613%  kept
          HG12  ILE  119 - QD    PHE   60   8.33 +/- 1.46   5.311% *  5.8260% (0.34   0.47   0.02) =   1.132%  kept
          QG    GLU-  15 - QD    PHE   60  12.45 +/- 1.05   0.195% *  0.6816% (0.95   0.02   0.02) =   0.005%
          HG2   MET   92 - QD    PHE   60  11.77 +/- 1.83   0.794% *  0.1262% (0.18   0.02   0.02) =   0.004%
          QG    GLN   90 - QD    PHE   60  14.22 +/- 1.24   0.127% *  0.4949% (0.69   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   60  15.13 +/- 1.30   0.067% *  0.6018% (0.84   0.02   0.02) =   0.001%
          QB    MET   11 - QD    PHE   60  22.33 +/- 1.21   0.006% *  0.6462% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  22.17 +/- 1.71   0.007% *  0.1262% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.05, residual support = 90.1:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.8968% (0.87  10.0   3.05  90.12) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.82 +/- 0.48   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.39 +/- 0.99   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.745, support = 3.04, residual support = 7.5:
          QD    PHE   60 - QD    PHE   72   5.02 +/- 1.53  74.743% * 87.8942% (0.76   3.12   7.79) =  96.096%  kept
          HN    LYS+  66 - QD    PHE   72   6.61 +/- 0.48  24.143% * 11.0457% (0.28   1.08   0.36) =   3.901%  kept
          HE3   TRP   27 - QD    PHE   72  11.06 +/- 0.67   0.935% *  0.1838% (0.25   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD    PHE   72  19.66 +/- 1.47   0.037% *  0.7304% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.84 +/- 0.86   0.142% *  0.1458% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 6 structures by 0.52 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.384, support = 1.84, residual support = 11.2:
          QE    PHE   60 - QD    PHE   72   5.06 +/- 2.19  66.695% * 46.2377% (0.18   2.49   7.79) =  66.630%  kept
          HN    LEU   63 - QD    PHE   72   6.18 +/- 0.57  32.453% * 47.5508% (0.80   0.56  18.01) =  33.342%  kept
          HD21  ASN   28 - QD    PHE   72  12.96 +/- 0.49   0.362% *  1.9031% (0.90   0.02   0.02) =   0.015%
          HN    ILE   56 - QD    PHE   72  13.32 +/- 0.94   0.269% *  1.4576% (0.69   0.02   0.02) =   0.008%
          HZ2   TRP   87 - QD    PHE   72  18.50 +/- 1.61   0.059% *  1.5409% (0.73   0.02   0.02) =   0.002%
          HN    LYS+ 111 - QD    PHE   72  15.46 +/- 1.82   0.115% *  0.6550% (0.31   0.02   0.02) =   0.002%
          HN    ALA   84 - QD    PHE   72  18.64 +/- 1.04   0.046% *  0.6550% (0.31   0.02   0.02) =   0.001%
    Distance limit 5.22 A violated in 2 structures by 0.15 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.56, residual support = 90.1:
          HN    PHE   72 - QD    PHE   72   2.62 +/- 0.33  99.977% * 99.8217% (0.98   5.56  90.12) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.13 +/- 0.70   0.023% *  0.1783% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 1.9, residual support = 90.1:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.191% * 52.6465% (0.76  10.0 10.00   1.00  90.12) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 47.3200% (0.69  10.0 10.00   3.05  90.12) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  11.06 +/- 1.31   0.004% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.63, support = 0.965, residual support = 5.74:
          QD    PHE   60 - QE    PHE   72   5.68 +/- 1.70  46.514% * 72.8832% (0.76   0.99   7.79) =  72.400%  kept
          HN    LYS+  66 - QE    PHE   72   5.35 +/- 0.56  53.089% * 24.3388% (0.28   0.91   0.36) =  27.595%  kept
          HE3   TRP   27 - QE    PHE   72  12.86 +/- 0.81   0.269% *  0.4816% (0.25   0.02   0.02) =   0.003%
          QD    PHE   55 - QE    PHE   72  14.57 +/- 1.30   0.115% *  0.3822% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  21.49 +/- 1.63   0.014% *  1.9142% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 2 structures by 0.22 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.1:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.12) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.46 +/- 1.47   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.25 +/- 0.85   0.000% *  0.0618% (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 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.6, residual support = 90.1:
          HA    PHE   72 - QD    PHE   72   2.88 +/- 0.38  99.873% * 99.8349% (0.90   4.60  90.12) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.58 +/- 1.19   0.127% *  0.1651% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.21 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 = 0.412, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72  10.14 +/- 1.10  72.796% *  9.9133% (0.22   0.02   0.02) =  53.562%  kept
          HA    THR   23 - QD    PHE   72  13.33 +/- 1.04  15.417% * 28.8048% (0.65   0.02   0.02) =  32.960%  kept
          HA    ASP-  78 - QD    PHE   72  18.02 +/- 0.77   2.321% * 41.1037% (0.92   0.02   0.02) =   7.079%  kept
          HB    THR   23 - QD    PHE   72  15.20 +/- 0.73   6.766% *  7.7981% (0.18   0.02   0.02) =   3.916%  kept
          HA    LEU   80 - QD    PHE   72  18.03 +/- 1.67   2.701% * 12.3802% (0.28   0.02   0.02) =   2.482%  kept
    Distance limit 5.18 A violated in 20 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 3.69, residual support = 59.2:
        T HA    ALA   64 - QD    PHE   72   3.08 +/- 0.51  25.177% * 82.2895% (0.92   1.0 10.00   3.16  39.44) =  61.092%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.43 +/- 0.12  74.795% * 17.6413% (0.20  10.0 10.00   4.52  90.12) =  38.908%  kept
          QE    LYS+  66 - QD    PHE   72   9.64 +/- 0.87   0.026% *  0.0222% (0.25   1.0  1.00   0.02   0.36) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.55 +/- 0.79   0.002% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.67, residual support = 90.1:
      O T HB3   PHE   72 - QD    PHE   72   2.51 +/- 0.18  96.387% * 99.4111% (0.98  10.0 10.00   4.67  90.12) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   5.47 +/- 1.35   3.107% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - QD    PHE   72   6.85 +/- 1.09   0.434% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72  10.05 +/- 1.48   0.043% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  10.83 +/- 1.39   0.021% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.16 +/- 0.47   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.41 +/- 1.93   0.002% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  18.29 +/- 1.18   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.40 +/- 1.17   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.798, support = 0.856, residual support = 5.9:
        T HB    VAL   42 - QD    PHE   72   3.40 +/- 0.99  91.314% * 59.6062% (0.80 10.00   0.75   4.95) =  97.128%  kept
          HB3   LEU   73 - QD    PHE   72   6.83 +/- 0.46   4.580% * 33.6765% (0.73  1.00   4.67  39.35) =   2.753%  kept
          HG3   LYS+  65 - QD    PHE   72   7.88 +/- 0.70   1.419% *  4.4522% (0.80  1.00   0.56   0.02) =   0.113%
          HB3   LYS+  74 - QD    PHE   72   8.12 +/- 0.80   1.520% *  0.1125% (0.57  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    PHE   72   8.53 +/- 0.75   0.624% *  0.1660% (0.84  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QD    PHE   72  11.72 +/- 1.23   0.121% *  0.1723% (0.87  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  12.23 +/- 2.26   0.189% *  0.1045% (0.53  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  13.57 +/- 1.17   0.083% *  0.1969% (0.99  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  17.28 +/- 1.22   0.012% *  1.2051% (0.61 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.60 +/- 1.50   0.095% *  0.0967% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  15.90 +/- 0.97   0.017% *  0.1365% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  16.39 +/- 2.18   0.025% *  0.0746% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 1.5, residual support = 35.6:
        T QD1   LEU   67 - QD    PHE   72   4.10 +/- 1.11  73.412% * 97.5868% (0.41 10.00   1.50  35.63) =  99.877%  kept
        T QD1   ILE  119 - QD    PHE   72   8.23 +/- 1.35   3.512% *  1.6652% (0.53 10.00   0.02   0.02) =   0.082%
          QD2   LEU   40 - QD    PHE   72   5.76 +/- 0.80  17.065% *  0.1419% (0.45  1.00   0.02   0.02) =   0.034%
          HB    VAL   75 - QD    PHE   72   9.83 +/- 0.89   0.686% *  0.3102% (0.98  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - QD    PHE   72   8.35 +/- 0.96   1.929% *  0.0705% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD    PHE   72  11.55 +/- 2.04   2.633% *  0.0488% (0.15  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - QD    PHE   72  10.61 +/- 0.85   0.425% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   72  11.06 +/- 0.74   0.339% *  0.0977% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.09, residual support = 39.3:
          QD2   LEU   73 - QD    PHE   72   4.57 +/- 0.31  77.577% * 99.0425% (0.95   6.09  39.35) =  99.971%  kept
          QG1   VAL   41 - QD    PHE   72   6.52 +/- 0.69  11.920% *  0.0956% (0.28   0.02   0.02) =   0.015%
          QG1   VAL   43 - QD    PHE   72   6.76 +/- 0.59   8.480% *  0.0530% (0.15   0.02   0.02) =   0.006%
          QD1   ILE   56 - QD    PHE   72   9.63 +/- 1.29   1.296% *  0.3408% (0.99   0.02   0.02) =   0.006%
          HG    LEU   31 - QD    PHE   72  10.91 +/- 0.78   0.481% *  0.2872% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  12.61 +/- 1.37   0.245% *  0.1809% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.21 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 = 5.09, residual support = 39.4:
        T QB    ALA   64 - QD    PHE   72   2.68 +/- 0.44  99.957% * 99.9781% (0.80 10.00   5.09  39.44) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.62 +/- 1.17   0.043% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 38.2:
        T QG2   VAL   70 - QD    PHE   72   2.71 +/- 0.51 100.000% *100.0000% (0.65 10.00   1.84  38.18) = 100.000%  kept
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.06, residual support = 39.4:
        T HA    ALA   64 - QE    PHE   72   2.70 +/- 0.42  99.692% * 99.5248% (0.38 10.00   4.06  39.44) =  99.999%  kept
          QE    LYS+  66 - QE    PHE   72   8.10 +/- 0.89   0.304% *  0.2123% (0.80  1.00   0.02   0.36) =   0.001%
          HB3   ASN   35 - QE    PHE   72  15.24 +/- 0.84   0.005% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 3.74, residual support = 38.2:
        T HB    VAL   70 - QE    PHE   72   2.33 +/- 0.51  99.674% * 98.7668% (0.99 10.00   3.74  38.18) =  99.998%  kept
        T QG    GLN   17 - QE    PHE   72   7.61 +/- 1.39   0.207% *  0.9617% (0.97 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - QE    PHE   72   9.59 +/- 1.49   0.065% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.69 +/- 1.74   0.032% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.81 +/- 1.39   0.007% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  12.81 +/- 1.49   0.011% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.57 +/- 1.08   0.003% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.25 +/- 0.46   0.001% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 3.14, residual support = 35.6:
        T HB2   LEU   67 - QE    PHE   72   2.63 +/- 0.63  97.269% * 98.9499% (0.45 10.00   3.14  35.63) =  99.998%  kept
          HG2   PRO   68 - QE    PHE   72   7.39 +/- 1.11   0.618% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QE    PHE   72   6.88 +/- 1.26   0.921% *  0.0491% (0.22  1.00   0.02   6.99) =   0.000%
          HB    ILE   19 - QE    PHE   72   8.12 +/- 0.83   0.214% *  0.1603% (0.73  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    PHE   72   7.42 +/- 1.41   0.662% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.44 +/- 1.39   0.244% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  12.08 +/- 1.67   0.032% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  13.21 +/- 1.93   0.023% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  13.22 +/- 0.99   0.015% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  18.70 +/- 0.46   0.001% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.375, support = 3.14, residual support = 35.6:
          HB3   LEU   67 - QE    PHE   72   2.77 +/- 0.85  95.169% * 89.5100% (0.38   3.14  35.63) =  99.955%  kept
          HD3   LYS+ 121 - QE    PHE   72  10.79 +/- 2.56   0.916% *  1.4018% (0.92   0.02   0.02) =   0.015%
          QB    ALA   61 - QE    PHE   72   7.18 +/- 0.61   1.324% *  0.7990% (0.53   0.02   0.02) =   0.012%
          QG    LYS+  66 - QE    PHE   72   6.88 +/- 0.80   1.770% *  0.3381% (0.22   0.02   0.36) =   0.007%
          QB    LEU   98 - QE    PHE   72   8.87 +/- 0.87   0.380% *  0.9824% (0.65   0.02   0.02) =   0.004%
          HG12  ILE   19 - QE    PHE   72   8.95 +/- 1.66   0.259% *  1.2684% (0.84   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QE    PHE   72  10.23 +/- 0.81   0.113% *  1.3619% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - QE    PHE   72  13.28 +/- 2.01   0.047% *  1.1606% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - QE    PHE   72  18.22 +/- 2.38   0.005% *  1.5052% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  14.11 +/- 1.56   0.013% *  0.5699% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  18.95 +/- 3.01   0.005% *  1.1027% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 4.19, residual support = 35.6:
        T QD1   LEU   67 - QE    PHE   72   3.01 +/- 0.43  91.094% * 98.1791% (0.41 10.00   4.19  35.63) =  99.972%  kept
        T QD1   ILE  119 - QE    PHE   72   7.21 +/- 1.50   1.562% *  1.2564% (0.53 10.00   0.02   0.02) =   0.022%
          QD2   LEU   40 - QE    PHE   72   5.38 +/- 0.81   4.209% *  0.1071% (0.45  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - QE    PHE   72  11.53 +/- 2.50   2.810% *  0.0368% (0.15  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72   9.68 +/- 1.14   0.148% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.62 +/- 1.11   0.036% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.80 +/- 1.05   0.066% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.32 +/- 1.02   0.076% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.667, support = 4.36, residual support = 20.1:
          HB3   LEU   63 - QE    PHE   72   2.93 +/- 1.35  57.994% * 80.8432% (0.73   4.38  18.01) =  89.350%  kept
          QG1   VAL   70 - QE    PHE   72   3.21 +/- 0.66  30.313% * 18.3701% (0.18   4.13  38.18) =  10.612%  kept
          QD1   LEU   40 - QE    PHE   72   3.83 +/- 0.82  10.485% *  0.1567% (0.31   0.02   0.02) =   0.031%
          QG1   VAL  108 - QE    PHE   72  13.09 +/- 2.79   0.549% *  0.5034% (0.99   0.02   0.02) =   0.005%
          QG1   VAL   18 - QE    PHE   72   6.38 +/- 0.81   0.658% *  0.1266% (0.25   0.02   6.99) =   0.002%
    Distance limit 4.39 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 = 0.809, support = 3.67, residual support = 18.1:
          QD2   LEU   63 - QE    PHE   72   3.31 +/- 0.88  65.523% * 28.1383% (0.69   3.65  18.01) =  58.423%  kept
          QD1   LEU   63 - QE    PHE   72   4.05 +/- 1.08  31.668% * 40.8618% (0.98   3.71  18.01) =  41.005%  kept
          QD1   LEU   73 - QE    PHE   72   8.08 +/- 0.25   0.585% * 30.5427% (0.98   2.78  39.35) =   0.567%  kept
          QD2   LEU  115 - QE    PHE   72   9.10 +/- 1.41   0.398% *  0.1630% (0.73   0.02   0.02) =   0.002%
          QD1   LEU  104 - QE    PHE   72   8.11 +/- 0.81   0.616% *  0.1007% (0.45   0.02   0.02) =   0.002%
          QG2   VAL   41 - QE    PHE   72   7.12 +/- 0.46   1.187% *  0.0393% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  15.03 +/- 2.82   0.023% *  0.1542% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.681, support = 4.15, residual support = 38.4:
          QB    ALA   64 - QE    PHE   72   3.37 +/- 0.51  56.019% * 95.6708% (0.69   4.27  39.44) =  96.974%  kept
          QG1   VAL   42 - QE    PHE   72   3.74 +/- 1.38  43.967% *  3.8041% (0.49   0.24   4.95) =   3.026%  kept
          QB    ALA   47 - QE    PHE   72  13.80 +/- 1.22   0.009% *  0.3960% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  15.90 +/- 1.75   0.005% *  0.1292% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 4.91, residual support = 38.2:
        T QG2   VAL   70 - QE    PHE   72   2.21 +/- 0.43 100.000% *100.0000% (0.90 10.00   4.91  38.18) = 100.000%  kept
    Distance limit 4.35 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 = 2.73, residual support = 39.4:
        T HA    ALA   64 - HZ    PHE   72   3.57 +/- 0.68  98.908% * 99.7900% (0.65 10.00   2.73  39.44) =  99.999%  kept
          QE    LYS+  66 - HZ    PHE   72   8.40 +/- 1.03   1.079% *  0.0812% (0.53  1.00   0.02   0.36) =   0.001%
          HB3   ASN   35 - HZ    PHE   72  17.86 +/- 0.92   0.013% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 38.2:
        T HB    VAL   70 - HZ    PHE   72   3.67 +/- 0.93  98.707% * 98.2503% (0.92 10.00   3.30  38.18) =  99.990%  kept
        T QG    GLN   17 - HZ    PHE   72   9.41 +/- 1.43   0.729% *  1.0272% (0.97 10.00   0.02   0.02) =   0.008%
        T HB2   MET   96 - HZ    PHE   72  11.49 +/- 1.81   0.467% *  0.5600% (0.53 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HZ    PHE   72  14.97 +/- 1.55   0.041% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  14.76 +/- 1.76   0.052% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  21.52 +/- 0.54   0.005% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.6:
        T HB2   LEU   67 - HZ    PHE   72   2.91 +/- 0.57  98.140% * 98.9499% (0.45 10.00   2.96  35.63) =  99.998%  kept
          HG2   PRO   68 - HZ    PHE   72   8.17 +/- 1.51   0.632% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HZ    PHE   72   9.10 +/- 1.93   0.660% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HZ    PHE   72  10.17 +/- 0.95   0.102% *  0.1603% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HZ    PHE   72   8.75 +/- 1.40   0.327% *  0.0491% (0.22  1.00   0.02   6.99) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.80 +/- 2.01   0.024% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.49 +/- 1.41   0.089% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.86 +/- 2.32   0.016% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  15.23 +/- 1.25   0.009% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.03 +/- 0.54   0.001% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 0.374, support = 2.94, residual support = 35.3:
          HB3   LEU   67 - HZ    PHE   72   3.31 +/- 1.09  92.371% * 76.9649% (0.38   2.96  35.63) =  99.064%  kept
          QG    LYS+  66 - HZ    PHE   72   7.15 +/- 1.03   4.650% * 13.7631% (0.22   0.89   0.36) =   0.892%  kept
          HD3   LYS+ 121 - HZ    PHE   72  11.62 +/- 3.17   1.420% *  1.2803% (0.92   0.02   0.02) =   0.025%
          QB    ALA   61 - HZ    PHE   72   8.69 +/- 0.73   0.921% *  0.7297% (0.53   0.02   0.02) =   0.009%
          QB    LEU   98 - HZ    PHE   72  10.48 +/- 1.17   0.336% *  0.8972% (0.65   0.02   0.02) =   0.004%
          HG12  ILE   19 - HZ    PHE   72  11.14 +/- 1.86   0.145% *  1.1585% (0.84   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HZ    PHE   72  12.60 +/- 0.87   0.088% *  1.2439% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HZ    PHE   72  15.34 +/- 2.21   0.045% *  1.0600% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  21.51 +/- 2.72   0.005% *  1.3747% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  16.44 +/- 1.99   0.013% *  0.5205% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  22.32 +/- 3.43   0.005% *  1.0071% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 35.6:
        T QD1   LEU   67 - HZ    PHE   72   3.26 +/- 0.77  93.094% * 96.1534% (0.41 10.00   3.99  35.63) =  99.976%  kept
        T QD1   ILE  119 - HZ    PHE   72   8.07 +/- 1.78   1.367% *  1.2305% (0.53 10.00   0.02   0.02) =   0.019%
          QD2   LEU   40 - HZ    PHE   72   6.43 +/- 1.08   3.363% *  0.1049% (0.45  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HZ    PHE   72  13.35 +/- 2.95   1.855% *  0.0361% (0.15  1.00   0.02   0.02) =   0.001%
        T HB    VAL   75 - HZ    PHE   72  14.13 +/- 1.21   0.026% *  2.2925% (0.98 10.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  10.77 +/- 1.68   0.175% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  12.26 +/- 1.47   0.067% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.74 +/- 1.09   0.054% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.817, support = 2.79, residual support = 22.5:
        T HB3   LEU   63 - HZ    PHE   72   3.85 +/- 1.59  55.426% * 69.6793% (0.95 10.00   2.87  18.01) =  77.467%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.94 +/- 0.69  40.473% * 27.6454% (0.38 10.00   2.54  38.18) =  22.444%  kept
          QD1   LEU   71 - HZ    PHE   72   8.36 +/- 1.02   1.719% *  2.5634% (0.20  1.00   3.52  19.81) =   0.088%
          QG1   VAL   18 - HZ    PHE   72   8.04 +/- 0.90   0.770% *  0.0359% (0.49  1.00   0.02   6.99) =   0.001%
          QD1   LEU  123 - HZ    PHE   72   8.07 +/- 2.79   1.322% *  0.0146% (0.20  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.18 +/- 3.02   0.290% *  0.0615% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 2.42, residual support = 18.1:
          QD2   LEU   63 - HZ    PHE   72   3.51 +/- 1.00  87.490% * 23.3165% (0.69   2.31  18.01) =  81.924%  kept
          QD1   LEU   63 - HZ    PHE   72   5.14 +/- 1.18  10.210% * 42.7929% (0.98   2.97  18.01) =  17.546%  kept
          QD1   LEU   73 - HZ    PHE   72   9.85 +/- 0.33   0.389% * 33.2915% (0.98   2.31  39.35) =   0.520%  kept
          QD1   LEU  104 - HZ    PHE   72   9.02 +/- 1.11   0.854% *  0.1319% (0.45   0.02   0.02) =   0.005%
          QD2   LEU  115 - HZ    PHE   72  10.29 +/- 1.73   0.316% *  0.2136% (0.73   0.02   0.02) =   0.003%
          QG2   VAL   41 - HZ    PHE   72   8.71 +/- 0.59   0.724% *  0.0515% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  17.74 +/- 3.21   0.016% *  0.2021% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 38.2:
        T QG2   VAL   70 - HZ    PHE   72   3.56 +/- 0.49 100.000% *100.0000% (0.90 10.00   4.44  38.18) = 100.000%  kept
    Distance limit 5.20 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 = 1.88, residual support = 74.0:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.88  74.01) = 100.000%  kept
    Distance limit 3.99 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 = 74.0:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9913% (0.98  10.0   1.00  74.01) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.35 +/- 1.84   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.0:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.998% * 99.8601% (0.98  10.0 10.00   1.00  74.01) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  17.97 +/- 2.51   0.001% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  18.64 +/- 2.30   0.001% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.0:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.983% * 99.5607% (0.99  10.0   1.00  74.01) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87  13.81 +/- 3.59   0.016% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  18.72 +/- 2.02   0.001% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  23.02 +/- 2.58   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  25.17 +/- 2.24   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.0:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.840% * 99.7330% (0.90  10.0   1.00  74.01) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.34 +/- 0.27   1.158% *  0.0027% (0.01   1.0   0.02  20.76) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  25.06 +/- 3.49   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  23.21 +/- 2.33   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.27 +/- 1.09   0.002% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  23.02 +/- 2.58   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.861, support = 0.0198, residual support = 0.0198:
          HZ2   TRP   27 - HZ2   TRP   87  11.46 +/- 3.65  73.109% * 81.3674% (0.87   0.02   0.02) =  99.207%  kept
          HZ    PHE   72 - HZ2   TRP   87  22.96 +/- 2.26   1.385% * 14.4733% (0.15   0.02   0.02) =   0.334%
          HZ2   TRP   27 - HN    ILE   56  19.37 +/- 1.04   3.949% *  3.5312% (0.04   0.02   0.02) =   0.233%
          HZ    PHE   72 - HN    ILE   56  15.76 +/- 1.62  21.556% *  0.6281% (0.01   0.02   0.02) =   0.226%
    Distance limit 4.64 A violated in 19 structures by 6.82 A, eliminated.
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  19.60 +/- 3.21  20.993% * 22.0041% (0.99   0.02   0.02) =  33.980%  kept
          HN    THR   23 - HZ3   TRP   87  18.05 +/- 3.22  29.309% * 11.6802% (0.53   0.02   0.02) =  25.183%  kept
          QE    PHE   95 - HZ3   TRP   87  18.48 +/- 1.84  25.816% * 10.8062% (0.49   0.02   0.02) =  20.521%  kept
          HD2   HIS   22 - HZ3   TRP   87  22.84 +/- 3.61   6.286% * 20.4937% (0.92   0.02   0.02) =   9.477%  kept
          HD21  ASN   35 - HZ3   TRP   87  22.96 +/- 3.99   7.969% * 11.6802% (0.53   0.02   0.02) =   6.847%  kept
          QD    PHE   55 - HZ3   TRP   87  22.58 +/- 2.76   8.335% *  3.4254% (0.15   0.02   0.02) =   2.100%  kept
          HN    LEU   67 - HZ3   TRP   87  29.40 +/- 2.07   1.291% * 19.9101% (0.90   0.02   0.02) =   1.891%  kept
    Distance limit 4.05 A violated in 20 structures by 9.66 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   4.61 +/- 0.26  99.899% * 97.7182% (0.38   3.73  22.47) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  17.19 +/- 2.32   0.053% *  1.1172% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  17.86 +/- 2.15   0.038% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  21.65 +/- 1.03   0.010% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          QD1   LEU   31 - HH2   TRP   87  12.63 +/- 3.24 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 5.29 A violated in 20 structures by 7.34 A, eliminated.
    Peak unassigned.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.491, support = 0.02, residual support = 0.02:
          QD1   LEU   80 - HH2   TRP   87  11.83 +/- 1.43  28.337% *  9.4612% (0.53  1.00   0.02   0.02) =  32.527%  kept
          QD2   LEU   98 - HH2   TRP   87  13.13 +/- 3.36  20.385% *  9.4612% (0.53  1.00   0.02   0.02) =  23.399%  kept
          QD1   LEU   73 - HH2   TRP   87  14.05 +/- 2.61  11.906% *  8.0623% (0.45  1.00   0.02   0.02) =  11.646%  kept
          QG2   VAL   41 - HH2   TRP   87  14.96 +/- 2.50   6.779% * 13.0582% (0.73  1.00   0.02   0.02) =  10.740%  kept
          QD2   LEU   80 - HH2   TRP   87  11.78 +/- 1.42  26.853% *  2.7747% (0.15  1.00   0.02   0.02) =   9.039%  kept
        T QD2   LEU  115 - HH2   TRP   87  20.35 +/- 2.71   1.904% * 31.4935% (0.18 10.00   0.02   0.02) =   7.274%  kept
          QD2   LEU   63 - HH2   TRP   87  19.82 +/- 2.42   1.400% * 17.6268% (0.98  1.00   0.02   0.02) =   2.993%  kept
          QD1   LEU   63 - HH2   TRP   87  18.55 +/- 2.72   2.436% *  8.0623% (0.45  1.00   0.02   0.02) =   2.383%  kept
    Distance limit 5.13 A violated in 20 structures by 4.17 A, eliminated.
    Peak unassigned.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.668, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - HH2   TRP   87  13.79 +/- 3.84  50.943% * 30.8031% (0.76   0.02   0.02) =  69.795%  kept
          QG2   THR   46 - HH2   TRP   87  14.79 +/- 1.36  31.554% * 10.0504% (0.25   0.02   0.02) =  14.105%  kept
          QD2   LEU  104 - HH2   TRP   87  18.46 +/- 3.51   6.866% * 29.2682% (0.73   0.02   0.02) =   8.938%  kept
          QD1   ILE   19 - HH2   TRP   87  19.82 +/- 2.48   5.454% * 22.8195% (0.57   0.02   0.02) =   5.535%  kept
          QG2   VAL   18 - HH2   TRP   87  19.11 +/- 1.37   5.183% *  7.0588% (0.18   0.02   0.02) =   1.627%  kept
    Distance limit 4.66 A violated in 20 structures by 6.67 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.5, residual support = 74.0:
        T HA    TRP   87 - HE3   TRP   87   3.40 +/- 0.12  99.997% * 99.8092% (0.80 10.00   3.50  74.01) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  24.88 +/- 1.71   0.001% *  0.1203% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  25.55 +/- 3.28   0.001% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  23.82 +/- 2.76   0.001% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.29 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 = 3.19, residual support = 74.0:
      O T HB2   TRP   87 - HE3   TRP   87   2.45 +/- 0.04 100.000% * 99.0099% (1.00  10.0 10.00   3.19  74.01) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  21.87 +/- 1.25   0.000% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 0.925, support = 0.0198, residual support = 0.0198:
        T QD1   ILE  103 - HE3   TRP   87  13.27 +/- 2.57  54.092% * 76.5748% (0.95 10.00   0.02   0.02) =  96.953%  kept
          QG2   ILE  103 - HE3   TRP   87  15.08 +/- 2.67  24.868% *  2.2507% (0.28  1.00   0.02   0.02) =   1.310%  kept
          QD2   LEU   71 - HE3   TRP   87  21.91 +/- 2.05   3.236% *  7.0218% (0.87  1.00   0.02   0.02) =   0.532%  kept
          QG2   ILE  119 - HE3   TRP   87  22.76 +/- 1.46   2.462% *  8.0949% (1.00  1.00   0.02   0.02) =   0.466%
          HG3   LYS+  74 - HE3   TRP   87  20.37 +/- 1.29   5.736% *  3.0381% (0.38  1.00   0.02   0.02) =   0.408%
          QD2   LEU   40 - HE3   TRP   87  18.88 +/- 1.90   6.825% *  1.4177% (0.18  1.00   0.02   0.02) =   0.226%
          QD1   LEU   67 - HE3   TRP   87  22.41 +/- 1.92   2.780% *  1.6020% (0.20  1.00   0.02   0.02) =   0.104%
    Distance limit 5.22 A violated in 20 structures by 7.10 A, eliminated.
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.28, residual support = 74.0:
          HA    TRP   87 - HD1   TRP   87   4.52 +/- 0.07  99.976% * 99.1141% (0.80   4.28  74.01) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  21.63 +/- 1.45   0.009% *  0.5586% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  23.93 +/- 2.80   0.006% *  0.2380% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  22.11 +/- 2.22   0.009% *  0.0893% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.16, residual support = 13.6:
        T HA    VAL   83 - HD1   TRP   87   4.17 +/- 0.94  99.578% * 95.9068% (0.41 10.00   4.16  13.56) =  99.996%  kept
        T HA    VAL   24 - HD1   TRP   87  11.71 +/- 2.21   0.394% *  0.8755% (0.38 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HD1   TRP   87  25.81 +/- 1.77   0.004% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  23.69 +/- 2.35   0.008% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  21.17 +/- 1.18   0.017% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 1 structures by 0.18 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.95, residual support = 74.0:
      O   HB2   TRP   87 - HD1   TRP   87   3.87 +/- 0.02  99.989% * 99.0099% (1.00  10.0  1.00   3.95  74.01) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.98 +/- 1.01   0.011% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 5.05 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   3.27 +/- 0.34  99.909% * 98.2033% (1.00 10.00   3.60  22.47) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  15.72 +/- 2.43   0.013% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.06 +/- 1.45   0.075% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  23.51 +/- 2.19   0.001% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  21.76 +/- 1.85   0.001% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  23.03 +/- 1.07   0.001% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 3.82, residual support = 74.0:
      O   HB3   TRP   87 - HD1   TRP   87   2.78 +/- 0.04  99.985% * 99.2543% (0.25  10.0   3.82  74.01) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  13.35 +/- 2.38   0.015% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  28.12 +/- 2.41   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  25.01 +/- 2.50   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  23.09 +/- 1.43   0.000% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.852, support = 3.14, residual support = 14.8:
        T QG2   VAL   83 - HD1   TRP   87   3.05 +/- 0.66  40.361% * 87.1445% (0.90 10.00   2.94  13.56) =  82.241%  kept
          QD1   ILE   89 - HD1   TRP   87   2.66 +/- 0.64  59.566% * 12.7504% (0.65  1.00   4.06  20.45) =  17.759%  kept
          QG2   VAL   43 - HD1   TRP   87   8.96 +/- 1.23   0.067% *  0.0132% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87  13.49 +/- 1.92   0.006% *  0.0919% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.935, support = 1.03, residual support = 20.1:
        T QG2   ILE   89 - HD1   TRP   87   3.98 +/- 0.11  67.748% * 89.6875% (0.95 10.00   1.01  20.45) =  94.836%  kept
          QG1   VAL   83 - HD1   TRP   87   4.84 +/- 1.12  32.246% * 10.2601% (0.73  1.00   1.50  13.56) =   5.164%  kept
          QD1   LEU  104 - HD1   TRP   87  19.36 +/- 2.08   0.007% *  0.0524% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 0.451, support = 0.512, residual support = 0.0842:
          QD1   LEU   80 - HZ2   TRP   87  10.00 +/- 1.48   7.861% * 76.9054% (0.53   0.50   0.02) =  81.540%  kept
          QD2   LEU  115 - HN    ILE   56   6.75 +/- 1.10  56.095% *  1.7672% (0.01   0.79   0.50) =  13.371%  kept
          QD2   LEU   98 - HZ2   TRP   87  12.18 +/- 3.28   4.538% *  3.0963% (0.53   0.02   0.02) =   1.895%  kept
          QD2   LEU   80 - HZ2   TRP   87   9.80 +/- 1.51   8.010% *  0.9081% (0.15   0.02   0.02) =   0.981%  kept
          QD1   LEU   73 - HZ2   TRP   87  12.46 +/- 2.39   2.334% *  2.6385% (0.45   0.02   0.02) =   0.831%  kept
          QG2   VAL   41 - HZ2   TRP   87  13.70 +/- 2.30   1.309% *  4.2735% (0.73   0.02   0.02) =   0.755%  kept
          QD1   LEU   63 - HN    ILE   56   8.67 +/- 0.85  14.495% *  0.1145% (0.02   0.02   0.02) =   0.224%
          QD2   LEU   63 - HZ2   TRP   87  18.52 +/- 2.43   0.171% *  5.7687% (0.98   0.02   0.02) =   0.133%
          QD2   LEU   63 - HN    ILE   56  10.85 +/- 0.78   3.460% *  0.2504% (0.04   0.02   0.02) =   0.117%
          QD1   LEU   63 - HZ2   TRP   87  17.19 +/- 2.74   0.321% *  2.6385% (0.45   0.02   0.02) =   0.114%
          QD2   LEU  115 - HZ2   TRP   87  19.28 +/- 2.73   0.140% *  1.0307% (0.18   0.02   0.02) =   0.019%
          QG2   VAL   41 - HN    ILE   56  16.93 +/- 1.07   0.248% *  0.1855% (0.03   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    ILE   56  16.13 +/- 0.95   0.321% *  0.1145% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ILE   56  17.19 +/- 1.23   0.251% *  0.1344% (0.02   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ILE   56  18.14 +/- 1.89   0.172% *  0.1344% (0.02   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ILE   56  16.87 +/- 1.92   0.276% *  0.0394% (0.01   0.02   0.02) =   0.001%
    Distance limit 5.47 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 = 0.409, support = 0.02, residual support = 0.02:
          QG2   VAL   43 - HZ2   TRP   87   9.58 +/- 1.80  60.363% * 71.3019% (0.45   0.02   0.02) =  87.207%  kept
          QD1   LEU   31 - HZ2   TRP   87  11.62 +/- 3.07  23.836% * 24.5388% (0.15   0.02   0.02) =  11.851%  kept
          QG2   VAL   43 - HN    ILE   56  12.84 +/- 0.73  14.621% *  3.0944% (0.02   0.02   0.02) =   0.917%  kept
          QD1   LEU   31 - HN    ILE   56  19.33 +/- 1.12   1.181% *  1.0649% (0.01   0.02   0.02) =   0.025%
    Distance limit 5.10 A violated in 18 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 2.79, residual support = 68.5:
          HA    TRP   49 - HE3   TRP   49   4.51 +/- 0.37  64.774% * 58.1081% (0.69   3.15  87.07) =  77.908%  kept
          HA    CYS   50 - HE3   TRP   49   5.80 +/- 1.56  29.061% * 35.8646% (0.87   1.54   2.91) =  21.574%  kept
          HA    ALA   47 - HE3   TRP   49   7.11 +/- 1.28   5.047% *  4.8643% (0.76   0.24  14.74) =   0.508%  kept
          HA1   GLY  109 - HE3   TRP   49  14.60 +/- 3.31   1.008% *  0.4483% (0.84   0.02   0.02) =   0.009%
          HA    VAL  108 - HE3   TRP   49  15.53 +/- 2.64   0.105% *  0.3472% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  23.29 +/- 1.92   0.004% *  0.2613% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.35 +/- 2.51   0.001% *  0.1062% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.40 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 = 3.66, residual support = 87.1:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.675% * 98.2691% (1.00   3.66  87.07) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  14.95 +/- 2.99   0.274% *  0.2021% (0.38   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE3   TRP   49  24.52 +/- 3.42   0.015% *  0.5278% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  20.21 +/- 1.64   0.029% *  0.2214% (0.41   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  26.02 +/- 1.59   0.006% *  0.4312% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  33.41 +/- 1.55   0.001% *  0.3484% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.57 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.812, support = 0.0199, residual support = 81.8:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  88.682% * 16.7579% (0.84   0.02  87.07) =  93.992%  kept
          QD    PHE   55 - HH2   TRP   49  11.26 +/- 2.34   9.000% *  6.8436% (0.34   0.02   0.02) =   3.896%  kept
          QE    PHE   95 - HH2   TRP   49  14.06 +/- 2.99   1.832% * 15.3326% (0.76   0.02   0.02) =   1.777%  kept
          HN    THR   23 - HH2   TRP   49  20.21 +/- 2.17   0.154% * 16.0651% (0.80   0.02   0.02) =   0.156%
          HE3   TRP   27 - HH2   TRP   49  19.11 +/- 1.97   0.224% *  5.5782% (0.28   0.02   0.02) =   0.079%
          HD2   HIS   22 - HH2   TRP   49  24.97 +/- 3.72   0.073% * 13.7814% (0.69   0.02   0.02) =   0.064%
          HN    LEU   67 - HH2   TRP   49  26.08 +/- 2.02   0.027% * 20.0629% (1.00   0.02   0.02) =   0.034%
          HD21  ASN   35 - HH2   TRP   49  31.83 +/- 2.01   0.008% *  5.5782% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.41 A violated in 20 structures by 2.10 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 4.34, residual support = 61.4:
          HA    TRP   49 - HD1   TRP   49   4.11 +/- 0.30  59.154% * 45.8780% (0.69   4.91  87.07) =  68.834%  kept
          HA    CYS   50 - HD1   TRP   49   5.53 +/- 1.67  25.578% * 40.3558% (0.87   3.42   2.91) =  26.181%  kept
          HA    ALA   47 - HD1   TRP   49   5.47 +/- 1.13  14.908% * 13.1770% (0.76   1.27  14.74) =   4.983%  kept
          HA1   GLY  109 - HD1   TRP   49  15.05 +/- 4.11   0.243% *  0.2271% (0.84   0.02   0.02) =   0.001%
          HA    VAL  108 - HD1   TRP   49  15.36 +/- 3.76   0.113% *  0.1759% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HD1   TRP   49  21.26 +/- 1.70   0.004% *  0.1323% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  29.44 +/- 2.84   0.000% *  0.0538% (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 = 0.655, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - HZ3   TRP   87  14.78 +/- 3.49  78.232% * 31.1453% (0.45   0.02   0.02) =  61.914%  kept
          QG2   ILE   19 - HZ3   TRP   87  19.23 +/- 2.20  21.768% * 68.8547% (0.99   0.02   0.02) =  38.086%  kept
    Distance limit 5.36 A violated in 20 structures by 8.63 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.732, support = 0.02, residual support = 0.02:
          QD1   ILE  103 - HZ3   TRP   87  13.00 +/- 3.18  45.757% * 11.2532% (0.65   0.02   0.02) =  46.303%  kept
          QG2   ILE  103 - HZ3   TRP   87  14.90 +/- 3.29  19.586% * 16.4554% (0.95   0.02   0.02) =  28.982%  kept
          HB    VAL   75 - HZ3   TRP   87  15.25 +/- 1.79  22.080% *  4.3376% (0.25   0.02   0.02) =   8.612%  kept
          QD2   LEU   40 - HZ3   TRP   87  18.82 +/- 2.34   4.420% * 14.5299% (0.84   0.02   0.02) =   5.775%  kept
          HG3   LYS+  74 - HZ3   TRP   87  21.33 +/- 1.42   2.906% * 17.2415% (0.99   0.02   0.02) =   4.506%  kept
          QD2   LEU   71 - HZ3   TRP   87  21.94 +/- 2.34   2.067% * 13.2941% (0.76   0.02   0.02) =   2.471%  kept
          QD1   LEU   67 - HZ3   TRP   87  22.67 +/- 2.24   1.706% * 15.0893% (0.87   0.02   0.02) =   2.314%  kept
          QG2   ILE  119 - HZ3   TRP   87  23.39 +/- 1.87   1.477% *  7.7989% (0.45   0.02   0.02) =   1.036%  kept
    Distance limit 5.50 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.79, support = 0.0199, residual support = 0.0199:
          HG12  ILE  103 - HZ3   TRP   87  17.07 +/- 3.73  34.835% * 11.3326% (0.76   0.02   0.02) =  35.228%  kept
          HG2   PRO   93 - HZ3   TRP   87  18.83 +/- 2.29  15.927% * 14.0274% (0.95   0.02   0.02) =  19.937%  kept
          HB    VAL   41 - HZ3   TRP   87  20.21 +/- 3.02  12.715% * 13.2989% (0.90   0.02   0.02) =  15.089%  kept
          QB    LYS+ 102 - HZ3   TRP   87  19.86 +/- 3.50  12.241% * 11.3326% (0.76   0.02   0.02) =  12.379%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.26 +/- 3.00  13.935% *  7.2180% (0.49   0.02   0.02) =   8.975%  kept
          HB2   LEU   71 - HZ3   TRP   87  24.11 +/- 2.71   4.577% *  8.9941% (0.61   0.02   0.02) =   3.673%  kept
          QB    LYS+  66 - HZ3   TRP   87  26.72 +/- 2.23   1.834% * 14.6976% (0.99   0.02   0.02) =   2.406%  kept
          QB    LYS+  65 - HZ3   TRP   87  27.19 +/- 1.27   1.735% *  9.5928% (0.65   0.02   0.02) =   1.485%  kept
          HG    LEU  123 - HZ3   TRP   87  30.38 +/- 2.61   0.857% *  7.2180% (0.49   0.02   0.02) =   0.552%  kept
          HB3   GLN   17 - HZ3   TRP   87  29.40 +/- 2.05   1.343% *  2.2880% (0.15   0.02   0.02) =   0.274%
    Distance limit 5.50 A violated in 20 structures by 8.03 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   3.50 +/- 0.32 100.000% *100.0000% (0.61   3.86  73.49) = 100.000%  kept
    Distance limit 4.95 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   2.43 +/- 0.39 100.000% *100.0000% (0.98 10.00   3.44  73.49) = 100.000%  kept
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 4.5:
          HA    ASP-  44 - QD    PHE   95   3.36 +/- 1.11  98.530% * 93.1915% (0.90   2.00   4.50) =  99.991%  kept
          HA    ILE  103 - QD    PHE   95  10.29 +/- 0.93   0.719% *  0.7546% (0.73   0.02   0.02) =   0.006%
          HA    LEU  104 - QD    PHE   95  11.07 +/- 1.06   0.499% *  0.2889% (0.28   0.02   0.02) =   0.002%
          HB    THR   77 - QD    PHE   95  12.55 +/- 1.32   0.073% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    THR   39 - QD    PHE   95  14.67 +/- 1.14   0.079% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  14.25 +/- 1.11   0.049% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.28 +/- 0.70   0.012% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  18.48 +/- 1.40   0.008% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  18.36 +/- 1.95   0.009% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.39 +/- 1.14   0.018% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.42 +/- 0.90   0.003% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  27.32 +/- 1.00   0.002% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 1 structures by 0.06 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   2.34 +/- 0.07 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.49) = 100.000%  kept
    Distance limit 4.46 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   2.62 +/- 0.14  99.921% * 99.8712% (0.99  10.0 10.00   3.31  73.49) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.10 +/- 1.05   0.078% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  18.93 +/- 0.71   0.001% *  0.0280% (0.28   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 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 45.8:
        T HB    VAL  107 - QD    PHE   95   2.32 +/- 0.61  99.344% * 99.7392% (0.92 10.00   3.85  45.81) = 100.000%  kept
          HB3   PHE   45 - QD    PHE   95   7.83 +/- 1.21   0.512% *  0.0568% (0.53  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - QD    PHE   95   9.86 +/- 1.89   0.133% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.27 +/- 1.38   0.008% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.64 +/- 1.28   0.002% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.73, support = 0.719, residual support = 3.95:
          HB3   ASP-  44 - QD    PHE   95   4.29 +/- 1.63  55.487% * 27.9346% (0.76   0.75   4.50) =  67.779%  kept
          HB2   LEU   63 - QD    PHE   95   5.61 +/- 1.21  19.329% * 23.6461% (0.65   0.75   4.15) =  19.987%  kept
          HB3   PRO   93 - QD    PHE   95   5.74 +/- 0.92  11.502% * 11.5590% (1.00   0.24   0.02) =   5.814%  kept
          HB    VAL   42 - QD    PHE   95   6.00 +/- 1.11   9.596% * 11.2819% (0.31   0.75   1.48) =   4.734%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.76 +/- 0.92   1.891% * 19.8265% (0.61   0.67   0.02) =   1.639%  kept
          HG    LEU   98 - QD    PHE   95   9.78 +/- 1.09   0.369% *  0.9407% (0.97   0.02   0.02) =   0.015%
          HB3   LEU   73 - QD    PHE   95   8.92 +/- 1.09   0.640% *  0.3658% (0.38   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - QD    PHE   95   9.17 +/- 1.48   0.658% *  0.3009% (0.31   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - QD    PHE   95  10.47 +/- 1.27   0.217% *  0.4745% (0.49   0.02   0.02) =   0.004%
          QB    ALA  124 - QD    PHE   95  12.28 +/- 0.89   0.071% *  0.8742% (0.90   0.02   0.02) =   0.003%
          QB    ALA   84 - QD    PHE   95  13.21 +/- 1.30   0.059% *  0.9726% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD    PHE   95  11.88 +/- 1.09   0.094% *  0.3009% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  15.97 +/- 3.07   0.029% *  0.5128% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD    PHE   95  15.64 +/- 1.43   0.024% *  0.4007% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  15.20 +/- 1.01   0.021% *  0.3658% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.45 +/- 1.23   0.010% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 45.8:
        T QG2   VAL  107 - QD    PHE   95   2.56 +/- 0.81  99.386% * 99.7831% (0.99 10.00   3.86  45.81) =  99.999%  kept
          HG13  ILE  103 - QD    PHE   95   9.47 +/- 1.01   0.380% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  10.42 +/- 1.48   0.201% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.77 +/- 0.81   0.033% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.95, support = 1.52, residual support = 4.42:
        T QD2   LEU  115 - QD    PHE   95   5.04 +/- 1.22  27.619% * 76.2930% (0.99 10.00   0.91   4.59) =  62.655%  kept
          QD1   LEU   63 - QD    PHE   95   3.61 +/- 1.19  62.316% * 19.6431% (0.90  1.00   2.59   4.15) =  36.398%  kept
          QD2   LEU   63 - QD    PHE   95   5.02 +/- 1.22   8.950% *  3.5409% (0.31  1.00   1.35   4.15) =   0.942%  kept
          QD1   LEU   73 - QD    PHE   95   8.61 +/- 0.54   0.519% *  0.1519% (0.90  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD    PHE   95  12.99 +/- 3.34   0.223% *  0.1660% (0.98  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD    PHE   95   9.32 +/- 1.19   0.246% *  0.1415% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  11.98 +/- 2.01   0.127% *  0.0636% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 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   3.24 +/- 0.95  97.319% * 93.6635% (0.65 10.00   0.75   1.48) =  99.923%  kept
          QB    ALA   64 - QD    PHE   95   7.19 +/- 1.14   1.540% *  3.2667% (0.53  1.00   0.32   0.02) =   0.055%
        T QB    ALA   47 - QD    PHE   95   9.36 +/- 0.80   0.664% *  2.9507% (0.76 10.00   0.02   0.02) =   0.021%
          HG2   LYS+ 112 - QD    PHE   95  10.02 +/- 1.49   0.478% *  0.1192% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.77 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 = 0.715, support = 3.73, residual support = 13.5:
          HA    ILE  119 - HD2   HIS  122   2.78 +/- 0.73  92.476% * 50.5426% (0.73   3.67  14.26) =  92.780%  kept
          HA    THR  118 - HD2   HIS  122   4.84 +/- 0.37   7.483% * 48.6053% (0.57   4.53   3.57) =   7.220%  kept
          HD3   PRO   58 - HD2   HIS  122  12.80 +/- 1.44   0.032% *  0.1170% (0.31   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.28 +/- 1.27   0.003% *  0.2146% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.70 +/- 1.65   0.005% *  0.1054% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  23.80 +/- 1.78   0.001% *  0.1699% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  25.17 +/- 1.12   0.000% *  0.2452% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.03 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 = 72.7:
      O T HB2   HIS  122 - HD2   HIS  122   3.40 +/- 0.51  99.915% * 99.7225% (0.49  10.0 10.00   3.81  72.69) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.17 +/- 0.92   0.072% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.82 +/- 1.56   0.012% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.90 +/- 1.18   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.956, support = 3.9, residual support = 72.0:
      O T HB3   HIS  122 - HD2   HIS  122   3.30 +/- 0.55  82.783% * 85.6490% (0.97  10.0 10.00   3.87  72.69) =  96.649%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.63 +/- 1.65  17.214% * 14.2810% (0.69   1.0  1.00   4.69  53.20) =   3.351%  kept
          HG2   GLN   30 - HD2   HIS  122  19.31 +/- 1.50   0.002% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  24.37 +/- 1.25   0.001% *  0.0502% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.558, support = 0.124, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122   9.34 +/- 1.90  10.237% * 45.4691% (0.65   0.18   0.02) =  64.317%  kept
          HB3   ASP- 105 - HD2   HIS  122   6.48 +/- 2.53  74.694% *  2.6323% (0.34   0.02   0.02) =  27.167%  kept
          HB3   PRO   58 - HD2   HIS  122  13.31 +/- 2.01   5.468% *  4.6805% (0.61   0.02   0.02) =   3.536%  kept
          HB    ILE   56 - HD2   HIS  122  12.19 +/- 1.43   2.399% *  7.5640% (0.98   0.02   0.02) =   2.507%  kept
          HG3   PRO   68 - HD2   HIS  122  11.42 +/- 2.22   5.371% *  1.9242% (0.25   0.02   0.02) =   1.428%  kept
          HB3   LYS+  38 - HD2   HIS  122  16.90 +/- 2.38   0.282% *  7.6997% (1.00   0.02   0.02) =   0.300%
          HB    ILE  103 - HD2   HIS  122  13.48 +/- 2.45   0.782% *  2.1456% (0.28   0.02   0.02) =   0.232%
          HB3   GLN   30 - HD2   HIS  122  17.91 +/- 1.98   0.192% *  7.1235% (0.92   0.02   0.02) =   0.189%
          HB2   MET   92 - HD2   HIS  122  17.77 +/- 1.02   0.183% *  6.1792% (0.80   0.02   0.02) =   0.156%
          QB    LYS+  33 - HD2   HIS  122  18.10 +/- 1.33   0.174% *  3.4597% (0.45   0.02   0.02) =   0.083%
          HG2   ARG+  54 - HD2   HIS  122  19.28 +/- 1.54   0.170% *  2.3818% (0.31   0.02   0.02) =   0.056%
          HB3   GLN   90 - HD2   HIS  122  24.21 +/- 1.31   0.029% *  4.0600% (0.53   0.02   0.02) =   0.016%
          QB    LYS+  81 - HD2   HIS  122  26.16 +/- 1.81   0.019% *  4.6805% (0.61   0.02   0.02) =   0.012%
    Distance limit 5.07 A violated in 10 structures by 0.96 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 = 0.907, support = 5.8, residual support = 52.6:
          HB2   LYS+ 121 - HD2   HIS  122   4.00 +/- 0.62  88.542% * 69.1001% (0.92   5.86  53.20) =  95.842%  kept
          HB2   LEU  123 - HD2   HIS  122   6.36 +/- 0.72   8.962% * 29.5558% (0.53   4.40  39.33) =   4.149%  kept
          QD    LYS+  65 - HD2   HIS  122  12.51 +/- 2.42   2.068% *  0.2417% (0.95   0.02   0.02) =   0.008%
          QD    LYS+ 102 - HD2   HIS  122  14.91 +/- 2.51   0.068% *  0.1953% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  15.85 +/- 2.29   0.039% *  0.2550% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  14.82 +/- 1.40   0.066% *  0.1447% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.00 +/- 1.42   0.056% *  0.0959% (0.38   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.95 +/- 1.06   0.133% *  0.0394% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.53 +/- 1.46   0.038% *  0.0710% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.98 +/- 2.43   0.005% *  0.2505% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  16.95 +/- 1.09   0.023% *  0.0506% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.816, support = 4.96, residual support = 53.2:
          HB3   LYS+ 121 - HD2   HIS  122   4.81 +/- 0.92  47.269% * 71.2985% (1.00   4.80  53.20) =  72.282%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.59 +/- 1.58  47.175% * 27.3677% (0.34   5.39  53.20) =  27.690%  kept
          QD    LYS+  66 - HD2   HIS  122   8.53 +/- 3.14   3.875% *  0.2163% (0.73   0.02   0.02) =   0.018%
          HG    LEU  104 - HD2   HIS  122   9.36 +/- 2.62   1.304% *  0.2973% (1.00   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HD2   HIS  122  12.80 +/- 1.70   0.136% *  0.2875% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HD2   HIS  122  12.54 +/- 2.33   0.175% *  0.0828% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.49 +/- 1.43   0.043% *  0.2818% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  20.18 +/- 2.66   0.010% *  0.1016% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.38 +/- 0.97   0.013% *  0.0663% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.185, support = 3.28, residual support = 14.0:
          QG2   ILE  119 - HD2   HIS  122   4.44 +/- 0.67  63.840% * 74.0593% (0.18  1.00   3.34  14.26) =  98.183%  kept
          QD1   LEU   67 - HD2   HIS  122   6.65 +/- 2.78  24.090% *  2.5274% (1.00  1.00   0.02   0.27) =   1.264%  kept
          QD2   LEU   40 - HD2   HIS  122   6.95 +/- 1.84   7.954% *  2.5330% (1.00  1.00   0.02   0.97) =   0.418%
          QG2   ILE  103 - HD2   HIS  122   9.65 +/- 2.09   1.330% *  2.4445% (0.97  1.00   0.02   0.02) =   0.067%
          QD2   LEU   71 - HD2   HIS  122  11.96 +/- 2.14   2.261% *  1.0414% (0.41  1.00   0.02   0.02) =   0.049%
        T HB    VAL   75 - HD2   HIS  122  16.44 +/- 1.66   0.029% * 14.3408% (0.57 10.00   0.02   0.02) =   0.009%
          QD1   ILE  103 - HD2   HIS  122  11.43 +/- 2.21   0.469% *  0.7818% (0.31  1.00   0.02   0.02) =   0.008%
          HG3   LYS+  74 - HD2   HIS  122  16.68 +/- 1.24   0.026% *  2.2717% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 4.57, residual support = 39.0:
          QD1   LEU  123 - HD2   HIS  122   4.52 +/- 0.99  73.318% * 51.7271% (0.49   4.65  39.33) =  92.959%  kept
          QD2   LEU  123 - HD2   HIS  122   6.79 +/- 0.76   5.720% * 44.3534% (0.49   3.99  39.33) =   6.218%  kept
          HB3   LEU  104 - HD2   HIS  122   8.11 +/- 2.47   9.090% *  3.4792% (0.84   0.18   0.02) =   0.775%  kept
          QD1   LEU   71 - HD2   HIS  122  12.24 +/- 2.52   4.653% *  0.2226% (0.49   0.02   0.02) =   0.025%
          QG1   VAL   70 - HD2   HIS  122   7.43 +/- 1.86   7.002% *  0.1272% (0.28   0.02   0.02) =   0.022%
          QG1   VAL   18 - HD2   HIS  122  12.26 +/- 1.40   0.218% *  0.0905% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.984, residual support = 3.57:
        T QG2   THR  118 - HD2   HIS  122   3.29 +/- 0.14 100.000% *100.0000% (0.69 10.00   0.98   3.57) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.831, support = 0.743, residual support = 20.8:
          HB3   LEU   73 - HE3   TRP   27   5.43 +/- 0.88  50.406% * 50.9954% (0.94   0.73  23.92) =  86.010%  kept
          HG3   LYS+  65 - HN    LEU   67   6.45 +/- 0.72  18.512% * 10.0689% (0.15   0.90   0.02) =   6.237%  kept
          HB2   LEU   80 - HE3   TRP   27   8.91 +/- 4.18  17.972% *  9.6558% (0.17   0.75   3.60) =   5.807%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.44 +/- 0.85   3.359% * 16.0124% (0.31   0.71   0.02) =   1.799%  kept
          QB    LEU   98 - HE3   TRP   27   9.77 +/- 1.18   1.785% *  0.8324% (0.56   0.02   0.02) =   0.050%
          HB    VAL   42 - HE3   TRP   27  11.01 +/- 0.72   0.657% *  1.4412% (0.97   0.02   0.02) =   0.032%
          HB    VAL   42 - HN    LEU   67   9.18 +/- 0.99   2.184% *  0.2242% (0.15   0.02   0.02) =   0.016%
          QB    ALA   84 - HE3   TRP   27  10.70 +/- 2.20   1.308% *  0.2910% (0.20   0.02   0.02) =   0.013%
          HG3   LYS+  33 - HE3   TRP   27  13.24 +/- 1.45   0.259% *  1.4670% (0.99   0.02   0.02) =   0.013%
          HG    LEU   98 - HE3   TRP   27  10.77 +/- 1.63   1.135% *  0.1990% (0.13   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HE3   TRP   27  15.11 +/- 1.37   0.116% *  1.1236% (0.76   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   67  13.70 +/- 3.34   1.237% *  0.0636% (0.04   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HE3   TRP   27  18.25 +/- 1.69   0.037% *  1.3572% (0.91   0.02   0.02) =   0.002%
          HB3   PRO   93 - HE3   TRP   27  14.74 +/- 1.21   0.130% *  0.3273% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.85 +/- 0.54   0.165% *  0.2164% (0.15   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HE3   TRP   27  19.69 +/- 1.15   0.019% *  1.4412% (0.97   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   67  14.02 +/- 1.15   0.160% *  0.1295% (0.09   0.02   0.02) =   0.001%
          QB    ALA   12 - HE3   TRP   27  20.52 +/- 1.87   0.016% *  1.2281% (0.83   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   67  15.56 +/- 1.35   0.097% *  0.1911% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   67  17.58 +/- 1.99   0.059% *  0.1748% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  17.87 +/- 2.11   0.043% *  0.2283% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.43 +/- 1.09   0.135% *  0.0706% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  20.42 +/- 1.93   0.019% *  0.4088% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.29 +/- 1.14   0.006% *  1.2753% (0.86   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  19.54 +/- 1.35   0.023% *  0.1984% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.57 +/- 1.63   0.067% *  0.0509% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  21.12 +/- 1.84   0.014% *  0.2112% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  16.28 +/- 1.44   0.068% *  0.0310% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  22.51 +/- 0.78   0.008% *  0.0453% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  24.20 +/- 2.16   0.006% *  0.0401% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.26 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        :    115
      with multiple volume contributions     :     89
      eliminated by violation filter         :     18
 
    Peaks:
      selected                               :    244
      without assignment                     :     30
      with assignment                        :    214
      with unique assignment                 :    140
      with multiple assignment               :     74
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    182
 
    Atoms with eliminated volume contribution > 2.5:
    HZ3   TRP   87       4.0
    HZ2   TRP   87       2.8
    HH2   TRP   87       3.0